File: allcod-atom-sites-solution-hydrogens.cif

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data_solution_hydrogens
loop_
_atom_sites_solution_hydrogens
""
" "
" ?"
" ?               "
" ."
"-"
","
"?"
"."
".."
"..."
"20 geom and 2 difmap"
"3 geom and 9 difmap"
"absorb"
"all but H1 geom"
" all carbon bonded H-atoms were placed at calculated positions, and the hydroxyl H-atom on the two non-disorder methanol molecules were located from a difference-Fourier map. No H-atoms were calculated for the disordered methanol molecule."
"all CH3 calcd, other H found & fixed, CH refined"
"all C-H geom and O-H atoms of coordinated water molecules from difmap"
"All H geom except water hydrogens H1, H2"
"all in calculated positions"
"all methyl calcd., others found & fixed"
"all placed geometrically"
"aromatic H atoms geometrically placed; water H atoms located from \DF"
"aromatic H geometrically placed, water H located from delta-F"
"aromatic H placed geometrically, others from delta F synthesis"
"aromatic Hs geometrically placed, CH3 and OH from delta-F"
"aromatic Hs geometrically placed; Hs from H2O mol. located from q-peak list"
" aromatic Hs placed geometrically; water Hs from q-peaks list; dmso Hs from delta F synthesis"
"aromatic hydr. geometrically placed; hydr. from H2O mol. from q-peak list"
" aromatic hydrogens geometrically placed, water hydrogens located from delta-F synthesis"
"aromatic placed geometrically, others from delta-F synthesis"
"at B1 from difmap, others geom"
"at B and P from difmap, others geom"
"at B from difmap, others geom"
"at c3 and c4 from difmap, others geom"
"at idealised positions, except for O-H"
"at Ir from difmap, others geom"
"at N10 from difmap, others geom"
"at N11 and water from difmap, others geom"
"at N12 from difmap, others geom"
"at N17 from difmap, other geom"
"at N1 and B1 from difmap, others geom"
"at N1, C3, and C4 from difmap, others geom"
"at N1C from difmap, others geom"
"at N1 form difmap, others geom"
"at N1 from difmap, others geom"
"at N2 from difmap, others geom"
"at N3 and O22 from difmap, other geom"
"at N3 from difmap, other geom"
"at N3 from difmap, others geom"
"at N3 from difmap. others geom"
"at N4 from difmap, others geom"
"at N5 from difmap, other geom"
"at N5 from difmap, others geom"
"at N6 from difmap, other geom"
"at N6 from difmap, others geom"
"at N7 and O22 from difmap, others geom"
"at N8 and B9 from difmap, others geom"
"at N8 from difmap, others geom"
"at N9 and water from difmap, others geom"
"at N9 from difmap, others geom"
"at N and B from difmap, others geom"
"at N and of H~2~O from diff.-fourier"
"at N and O from difmap, others geom"
"at N from difmap, other geom"
"at N from difmap. other geom"
"at N from difmap, others geom"
"at N from difmap,others geom"
"at nitrogen and oxygen from difmap, other geom"
"at N's from difmap, other geom"
"at O1 from difmap, others geom"
"at O301 from difmap, others geom"
"at O3 and N from difmap, other geom"
"at O4 from difmap, others geom"
"at O from difmap, others geom"
"at P1 and B1 from difmap, others geom"
"at P1 from difmap, others geom"
"at P and B from difmap, other geom"
"at P and B from difmap, others geom"
"at P from difmap, other geom"
"at P from difmap, others geom"
"at water and N from difmap, others geom"
"at water from difmap, others geom"
"at Zr from difmap, others geom"
"BH3 from delta-F, others placed geometrically"
"C22 methyl H atoms from difference Fourier; others placed geometrically"
"calaculated"
"calc"
"calcd"
"calc + difmap"
"calc/difmap"
"calculated"
"calculated (C-H); found from difference map (B-H)"
"Calculated geometric positions"
"calculated positions"
"Calculated positions"
"-CH2- placed geometrically, -CH3 located in delta-F"
"CH3 (acetonotrile solvent) found by difmap, other geometrically calculated"
"CH3 found in delta-F, CH2 placed geometrically, solvent Hs not found"
"CH3 in delta F, CH2 placed geometrically"
"C-H and H121 placed geometrically, other N-H located by deltaF"
"CH constrained, NH from difference map"
"CH geometrically placed, H2O from delta-F"
"CH geometrically placed; H2PO4 and H2O from delta-F"
"CH geometrically placed, H2PO4, NH and H2O from delta-F"
"CH geometrically placed, HPO4 from delta-F"
"CH geometrically placed, NH from delta-F"
"CH geometrically placed, OH from delta-F"
"C-H geom , N-H difmap"
"C-H geom, N-H difmap"
"CH geom, NH difmap"
"C-H geom, O-H difmap"
"CH geom, OH difmap"
"CH geom., OH difmap"
"CH inferred from neighbouring sites, NH located"
" C-H on ligand and 1,4-dioxane placed geometrically; H atoms on methanol found from difference Fourier synthesis"
" C-H placed geometrically, N-H and O-H located by deltaF"
"C-H placed geometrically, N-H and O-H located by deltaF"
"conf"
"const"
"constr"
"Constr"
"CONSTR"
"constrained to idealised geometry"
"constrained to idealised positions"
"constraint"
"ddifmap"
" delta-F for MeCN, others geometrically placed'"
"DeltaF synthesis for MeOH H, others placed geometrically"
"dfimap"
"difamp"
"diffam & geom"
"difference Fourier"
"difference fourier and geometrically idealized positions"
"difference Fourier; geometrically placed"
"difference Fourier map"
" Difference Fourier map"
" Difference Fourier map "
" Difference-Fourier map "
"Difference Fourier map"
"Difference Fourier Map"
"difference Fourier method"
"difference map"
"Difference map"
"difference map and geometric"
"difference map and geometrical"
"difference map or placed geometrically"
"difference maps"
"diff&geom"
"diffmap"
"diff map"
"diff. map for H1, geom. for the rest"
"diffmap & geom"
"difmao"
"difmap"
"difmap and calculated"
"  difmap and geom "
" difmap and geom"
"difmap  and geom"
"difmap and geom"
"difmap and  geom"
"Difmap and Geometric"
"difmap and geom (H812,H813,H922,H923,H12,H13,H14)"
"difmap (CH2), geom (Ph)"
"difmapeom"
"difmap, except for H291, H292, H293 which were geom"
"difmap, except for methyl H's, which were calculated"
"difmap, except geom for Cp* hydrogen atoms"
"difmap except geom for disordered"
"difmap except Me group, geometric"
"difmap except methyl group H geom"
"difmap, except methyl H"
"difmap except PART2 geom"
"difmap except solvate H atoms geom"
"difmap except THF geom"
"difmap for cluster hydrogen"
"difmap for cluster hydrogen,geom for other"
"difmap for cluster hydrogen,geom for others"
"difmap for Me, geom"
"difmap geom"
"difmap & geom"
"difmap +geom"
"difmap + geom"
"difmap,geom"
"difmap, geom"
"difmap/geom"
"difmap&geom"
"difmap+geom"
"difmap, geom for methyl and solvent H"
"difmap; geom for nitromethane"
"difmap, geom H(6), H(12), H(14), H(15)"
" DIFMAP & GEOM (H atoms of SiMe3 were located by geom and rest were found  from difmap"
"difmap geom noref"
"difmapm"
"difmap (N-H) and calc (C-H)"
"difmap (N-H) and geom (C-H)"
"difmap (N-H) and geom (others)"
"difmap (N-H and O-H) and geom (C-H)"
"difmap (N-H and O-H) and geom (C-H, P-H)"
"difmap (O-H) and geom (C-H)"
"difmap (O-H) and geom (C-H and N-H)"
"difmap (O-H) and geom (C-H, N-H)"
"difmap (O-H) and geom (C-N and N-H)"
"difmap (O-H) and geom (N-H)"
"difmap (O-H) and geom (N-H and C-H)"
"difmap (O-H) and geom (N-H, C-H)"
"difmap (O-H) and geom (others)"
"difmap (O-H and N-H) and geom  (C-H)"
"difmap (O-H and N-H) and geom (C-H)"
"difmap (O-H and N-H) and geom (C-H and P-H)"
"difmap (O-H, N-H) and geom (C-H)"
"difmap (O-H, N-H) and geom (C-H, P-H)"
"difmap or geom"
"difmap (water O-H) and geom (C-H)"
"difmap (water O-H) and geom (others)"
"difmep"
"dimap,geom"
"direct"
"electron difference map"
"energy minimization"
"except OH"
"fdif"
"fixed"
"fmap"
"Fmap"
"found"
"Found"
"found by diffmap"
"Found for BH, rest calculated"
"found from delta F"
"Found from delta-F"
" found from delta F, methyl hydrogens placed using rigid rotor model"
"Found from delta-F; OH geometrically placed"
"found from delta-F; solvent H geometrically placed"
"found from delta-F synthesis"
"found in difference Fourier map"
"Found in difference map, but idealised"
"found in the difference Fourier map"
"Found position"
"found position and geometrically"
"found position except phenyl and methyl"
"fourier"
"Fourier"
"Fourier and geom"
"Fourier difference"
"Fourier-difference map "
"Fourier difference syntheses"
"fourier map"
"Fourier maps and geometric"
"Fourier NH, others geom"
"Fourier synthesis"
"From 150K structure"
" >From a difference Fourier map except hydrogen atoms of acetone group.  H's of acetone are not included in the calculations."
"from Frey et al"
"from neutron diffraction study"
"From previously determined structure"
"geoemtrically or from delta-F"
"geom"
"geom?"
"geom."
"geom'"
"geom (a) and diference Fourier map (b)"
"geom (a) and difmap (b)"
"geom and circular E-map"
"geom and circular fourier map"
"geom and d-fourier"
"geom and difference Fourier "
"geom and difference map"
" geom and difmap"
"geom   and difmap"
"geom  and difmap"
"geom  and  difmap"
"geom and difmap"
"geom and difmap "
"geom and difmap for H2O"
"geom and difmap for hydroxyl"
"geom and difmap for Me H"
"geom and difmap for water"
"geom and difmap (OH)"
"geom and difmap (O-H species)"
"geom and Fourier"
"geom and located"
"geom and some NH2 and H2O H-coords refined"
"geom, at N1 not located"
"geom but difmap for Ga connected H"
"geom but difmap for H1GA, H2GA"
"geom but not for o3w"
"geom, but OH coords other than H18 refined"
"geom C17,C18,C19,C20,C21,C22"
"geom , C7 Me and N1 from difmap, MeOH not located"
"geom, =CH2, =CH and Me from difmap"
"geom (C-H) and difmap (O-H and N-H)"
"geom (CH), Difmap (GaH)"
"geom (C-H) / difmap (N-H)"
"geom (CH), difmap (NH)"
"geom (CH), difmap (NH and OH)"
"geom (CH), difmap (NH, OH)"
"geom (C-H) & difmap (O-H)"
"geom (C-H) + difmap (O-H)"
"geom (C-H) difmap (O-H)"
"geom (C-H), difmap (O-H)"
"geom (CH), difmap (OH)"
"geom (C-H) difmap (S-H)"
"geom CH, N and OH from difmap"
" geom constr except for those bound to the disordered C atoms which were not included"
"geom, diff"
"geom, diff map"
"geom difmap"
"geom & difmap"
"geom +difmap"
"geom + difmap"
"geom,difmap"
"geom, difmap"
"geom; difmap"
"geom/difmap"
"geom&difmap"
"geom+difmap"
"geom, difmap for bicyclo unit"
"geom, difmap for H2O"
"geom; difmap H(11), H(21)"
"geom/difmap (H12)"
"geom; difmap H(1), H(11), H(21)"
"geom & difmap (H2O)"
"geom & difmap (H2O), MeOH not located"
"geom/difmap (H7N)"
"geom/difmap (H7NA&B)"
"geom/difmap(methyl)"
"geom & difmap (OH)"
"geom/difmap (OH)"
"geom/difmap (on H2O)"
"geom & dmap"
"geome"
"geom, Et2O H omitted"
"geometrcally placed"
"geometric"
"Geometric"
" Geometric"
"  Geometric"
"geometrically"
"geometrically and free"
"geometrically, at N from Diff.-Fourier"
" geometrically calculated; delta-F synthesis for OH/MeOH, one OH could not be located"
"Geometrically calculated; except delta-F synthesis for MeCN"
"geometrically idealised"
"geometrically located"
"geometrically placed"
"Geometrically Placed"
"Geometrically Placed "
"geometrically placed, C4 Me from delta-F"
"geometrically placed, DCM H omitted"
" geometrically placed, DEF H's omitted"
"geometrically placed+difmap"
"geometrically placed except H3N,H4N,H5N which were found in difference map"
"geometrically placed, except Me and OH of MeOH and Me H of bridging MeO"
"geometrically placed, except OH from del-F"
" geometrically placed, except OH from Fourier synthesis "
"geometrically placed, except those in disordered solvent not included"
"geometrically placed, H2O from delta-F, C3s omitted"
"geometrically placed, H2O, MeCN from delta-F"
"geometrically placed, H2O not located"
"geometrically placed, Me 7M and 8M from delta-F"
"geometrically placed, Me and NH from delta-F"
"geometrically placed, Me and OH from delta-F"
"geometrically placed, MeCN from delta-F"
"geometrically placed, Me delta-F"
"geometrically placed, Me from deltaF"
"geometrically placed, Me from delta-F"
"geometrically placed, MeOH delta-F"
"geometrically placed. MeOH not located"
"geometrically placed; methyls from diffmap"
"geometrically placed, NH from delta-F and then idealised"
"geometrically placed, NH located deltaF"
"geometrically placed, none for solvent"
"geometrically placed, OH and disordered Et2O omitted"
"geometrically placed, OH and Me from delta-F"
"geometrically placed, OH, C4-prime Me delta-F"
"geometrically placed, OH delta-F"
"geometrically placed, OH from deltaF"
"geometrically placed, OH from delta-F"
"geometrically placed, OH & Me from delta-F"
"geometrically placed, one pentane omitted"
"geometrically placed on ligand, H on water found from E-map"
"geometric and DFmap"
"geometric and difference maps"
"geometric and difmap"
"geometric (d(Ga-H)=1.6Ang.)"
"geometric/difference map (H2O)"
"geometric/difmap"
"geometric; disordered H not placed"
"geometric, except H on morpholine N placed on difmap"
"geometric, except water hydrogens"
"Geometric (Full-weight only)"
"geometric; H's on O1W not placed"
"geometriclly placed"
"geometric; NH and OH based on H-bonding"
"geometric (NH visible in diff. map)"
"geometric (not placed on H2O)"
"geometric, not placed on H2O"
"geometric, not placed on part weight water"
"Geometric or located (Fourier difference)"
"Geometric positions"
"geometry and difmap"
"geom except amine Hs and H2O difmap"
"Geom except both NH coords freely refined"
"geom except c5 and NH from difmap"
"geom, except difmap for amide hydrogens"
"geom except difmap for B-H"
"geom, except difmap for B-H"
"geom, except difmap for B-H and M-H"
"geom, except difmap for B-H and Ru-H"
"geom, except difmap for borohydrides"
"geom, except difmap for hydroxyl H"
"geom, except difmap for M-H"
"geom, except difmap for M-H and B-H"
"geom, except for hydrides"
"geom except H11A&B coords freely refined"
"Geom except H12A&B coords freely refined"
"geom except H1&2 coords freely refined"
"geom except H1A&B coords freely refined"
"geom except H1A difmap"
"geom except H1 coords freely refined"
"geom except h1 coords refined"
"geom except H1, H3A&B coords freely refined"
"geom except H1N & H2N coords freely refined"
"Geom except H1W&H2W coords freely refined"
"geom except H2A&B coords freely refined"
"geom except H2A coords refined"
"geom except H2A,H4A,H5A&B coords refined"
" geom, except H2 and H2' difmap"
"geom except H2 and H4 coords freely refined"
"geom except H2 coord freely refined"
"geom except H(2) coords freely refined"
"geom except H2 coords freely refined"
"geom except H2, H2A coords freely refined"
"geom except H2 & H3 coords freely refined"
"geom - except H2 H3 H4 H5 H6 H7 - from difmap"
"geom except H2O H coords freely refined"
"geom except H2O-H coords freely refined"
"geom except H2O located from difmap"
"geom except H3&33 coords freely refined"
"geom except H3 coords refined"
"geom except H4A & H4B coords freely refined"
"geom except H4 coords freely refined"
"geom except H5 coords freely refined"
"geom except H7O difmap"
"geom except H9 coords freely refined"
"geom except Ir bound hydrogens difmap"
"geom,   except Me and H2O from difmap"
"geom, except Me from difmap"
" geom, except Me protons from difmap"
"geom except N bound H difmap/noref"
"geom except NH3 H coords freely refined"
"geom except NH and OH coords freely refined"
"Geom except NH and OH cords freely refined"
"geom except N-H atom freely refined"
"geom except NH coords freely refined"
"geom, except NH coords freely refined"
"geom, except NH coords refined with restraints"
"Geom except NH coords refined with restraints"
"geom except NH freely refined"
"geom except NH & OH coords freely refined"
"geom except N&O-H coords freely refined"
"geom, except non-disordered, non-Cp H"
"geom except O bound H difmap"
"geom except O bound hydrogens difmap"
"geom except OH coords freely refined"
"Geom except OH coords freely refined"
"Geom except OH coords refined with restraints"
"geom except OH from delta-F"
"geom, except OH from delta-F"
"geom except some OH coords freely refined"
"geom except THF-H"
"geom except water bound hydrogens difmap"
"geom except water H atoms difmap"
"geom excpt H1A&B,H3,H40A&B,H42 coords refined"
"geom for ArH, free xyz for others"
"geom for CH and difmap for NH"
"geom for CH, free with restraints for OH"
" 'geom for ligand and dioxane; H on methanol found from difmap and refined with a riding model'"
"geom for methylene and circular E-map for methyl group"
"geom, H17 difmap"
"geom; H1, H2 difmap"
"geom, H1w difmap"
"geom, H2O from difmap"
"geom, H at P2 difmap"
"geom, H of hydroxo ligands, difmap"
"geom, hydroxy H atom difmap"
"geom if bonded to C, difmap if bonded to O"
"geom if bound to C, difmap if bound to O"
"geom if bound to C,difmap if bound to O"
"geom if bound to C or N, difmap if bound to O"
"geomk"
"geom, Me and NH from difmap"
"geom, Me C3a from difmap"
"geom, Me from difamp"
"geom, me from difmap"
"geom, Me from difmap"
"geom; Me from difmap"
"geom; Me from Difmap"
"geom, Me From Difmap"
"geom, Me & HB from difmap"
"geom, methyls and NH from diffmap"
"geom, NH difmap"
"geom & NH from delta-F"
"geom (O-H) and calc (N-H)"
"geom, OH and sp2 bound Me from difmap"
"geom, O-H difmap"
"geom, OH difmap"
"geom, OH from difmap"
"geom, OH NH difmap"
"geomometrically placed"
"geom or difmap"
"geom or Fourier"
"geom, PH and Me from difmap"
"geom (Ph), difmap (CH)"
"geom/refall"
"geom, sp2 bound Me and OH from difmap"
"geom,  sp2 bound Me from difmap"
"geomt"
"geomtr"
"goem except H2B&C coords refined"
"H1 from diff. map, rest geom."
"H3,H4,H3',H4' located from delta-F; others placed geometrically"
"H-atoms not included"
"H atoms riding"
"  H atoms were placed at standard calculated positions, except atom H(N4) and H(water) which were obtained from difference map."
"    H atoms were placed at standard calculated positions, except atom H(N4) which was obtained from difference map."
"  H atoms were placed at standard calculated positions, except atoms H(N4) and N(11) which were obtained from difference map."
" H atoms were placed at standard calculated positions, except atoms H(N5) and H(N16), which were obtained from difference map."
"heavy"
"hydride H atoms from difmap others calc."
"hydrogen atoms are generated by HFIX"
"                                   hydrogen atoms are generated by HFIX                                   instructions"
"     'hydrogen atoms are generated by HFIX                                   instructions'"
" hydrogen atoms are generated by HFIX instructions"
" hydrogen atoms are generated by HFIX instructions."
"hydrogen atoms are generated by HFIX instructions"
"hydrogen atoms are generated by HFIX instructions'"
"                                   hydrogen atoms are generated by HFIX                                   instructions or difmap"
" hydrogen atoms are generated by HFIX instructions or difmap"
" hydrogen atoms are generated by HFIX instructions' or difmap"
" hydrogen atoms are generated by HFIX instructions' or 'difmap'"
"hydrogen atoms are generated by HFIX instructions or difmap"
"hydrogen atoms are generated by HFIX instructions' or difmap"
"hydrogen atoms found in map"
" Hydrogen atoms on CH3 and CH2 group were placed geometrically, except that the H atoms of a disordered CH2 group were not added. Hydrogen atoms on coordinated water were found in a delta-F map, but apart from one fully-occupied solvent water molecule, whose H atoms  were found in a delta-F map, the H atoms of other solvent waters  and methanols could notbe found."
"hydrogens of H2O molecules located from difmap, others geometrically placed"
"  idealized with riding models for C5Me5 groups and other hydrogen atoms were  located form Difference Fourier map and refined with bond lengthen constraint"
" idealized with riding models for C5Me5 groups and other hydrogen atoms were located form Difference Fourier map and refined with bond lengthen constraint"
"IGNORE"
"ignored"
"IGNORED"
"included in calculated positions; except for N-H (found in delta-F)"
"included in calculated positions, except for N-Me (found from delta-F)"
"initially placed geometrically"
"initially placed in calculated positions"
"introduced at calculated positions"
"introduced at calculated positions, except for amide H (not found)"
"introduced at calculated postions"
"isomor"
"Isostructural with Ru-Ru analogue"
"lattice energy minimization"
"locate"
"located"
"located and geometrically fixed"
"located from delta-F"
"located from delta-F syntheses"
"located from difmap"
" located on a difference Fourier map"
" located on a difference Fourier map "
"located on a difference Fourier map"
"location"
"Me and water Hs found in delta-F, others placed geometrically"
"MeCN and water hydrogens found from delta-F; others geometrically placed"
"MeCN from delta-F; others placed geometrically"
"MeCN H atoms from delta-F; others placed geometrically"
"Me-group from delta-F synthesis, others placed geometrically"
"Me-groups from delta-F synthesis, others placed geometrically"
"Me H atoms from delta-F; others placed geometrically"
"Me H from delta-F; others placed geometrically"
"Me-H from delta-F; others placed geometrically"
"Me Hs found in delta-F, -CH2- placed geometrically"
"Me Hs found in delta-F, water Hs not located, others placed geometrically"
"Me on sp2 C from delta-F; others placed geometrically"
"Me-(sp2) from delta-F; others placed geometrically"
"methanol H atoms from delta-F, others placed geometrically"
"Methyl and OH from delta-F; others placed geometrically"
"Methyl and water H atoms from delta-F; others placed geometrically"
"methyl H atoms from circular difference Fourier; others placed geometrically"
"methyl H atoms from delta-F, other placed geometrically"
"methyl H atoms from delta-F; others placed geometrically"
"Methyl H atoms from delta-F; others placed geometrically"
"methyl H atoms from difference Fourier; other placed geometrically"
"methyl H atoms placed geometrically"
"methyl H found from delta F; others geometrically placed"
"methyl H found from delta-F; others geometrically placed"
"mexed"
"mi"
"mixed"
"Mixed"
"mixed geom and diff maps"
"mixid"
"most seen in difference maps"
"n"
"N1 methyl H atoms from delta-F; others placed geometrically"
"na"
"n/a"
"N/A"
" N-H and O-H from delta-F;  methyl H atoms from delta-F;  others placed geometrically"
"NH and OH from delta-F; others placed geometrically"
"NH Fourier map, others geom"
"N-H from delta-F; Me from delta-F; others placed geometrically"
"N-H from delta-F; others placed geometrically"
"no"
"No"
"nodef"
"no H-Atom"
"no H atoms"
"no H-Atoms"
"no hydrogen atoms in the molecule"
"nome"
"none"
" none "
"None"
"NONE"
"nono"
"noref"
"not added"
"notdef"
"notder"
"notdet"
"not found"
"NOT INCLUDE"
"not included"
"not located"
"Not refined"
"observed"
"OH and CH3 from acetone found from difmap, other geometrically placed"
"OH and sp2-bound Me H atoms from delta-F; others placed geometrically"
"OH difmap, others geom"
"O-H from circular delta-F synthesis, others placed geometrically"
"O-H from delta-F; others geometrically placed"
"O-H from delta-F; others placed geometrically"
"OH from delta-F; others placed geometrically"
"OH from difference Fourier synthesis, others placed geometrically"
"OH from difference map; others placed geometrically"
" 'O-H located on difference Fourier, all other H atoms in calculated positions."
"OH(phenol)and H2O found by difmap, other geometrically calculated"
"OH-proton found from difference electron map, others placed geometrically"
"omitted"
".omitted'"
"one"
" only hydrogen atoms on the non-disordered carbon atoms are added geometrically"
"other"
"partly difmap and partly calculated"
"placed at calculated positions"
"placed geometrically"
"Placed geometrically"
" placed geometrically, except for H101, H105, H121, H201 and H221  located by deltaF"
"placed geometrically, except for H on N-atoms located by deltaF"
"placed geometrically; except for N-H and O-H located by deltaF"
"placed geometrically; except for O-H located by deltaF"
"placed geometrically, except H61 and H62 located from difference map"
"placed geometrically, except NH and OH located by deltaF"
"placed geometrically except NH which were refined with restraints"
" placed geometrically for C-H, H103, H321 and H403, except for the remaining N-H located by deltaF"
"placed geometrically, Me from difference Fourier method"
"placed geometrically, MeOH from delta-F"
"placed geometrically. MeOH hydrogens omitted "
"placed geometrically; solvent H atoms not located"
"placed in geometrically calculated positions"
" position calculated "
"positions calculated"
"Positions calculated"
"primary"
"rafall"
"refall"
"refined"
"Refined from a previous data point"
"Refined from previous data point"
"REFMAP"
"refU"
"ref U"
"ride"
"riding"
"riding model"
"Riding model"
"Riding model or placed from Fourier map"
"rigid"
"see text"
"See text"
"solvent methyl H atoms from delta-F; others placed geometrically"
"Solvent methyl H atoms from delta-F; others placed geometrically"
"sp2-bound Me H atoms from delta-F; others placed geometrically"
"sp2-bound methyl group from delta-F; others placed geometrically"
"sp2-bound methyl H atoms from delta-F; other CH geometrically placed"
"sp2-bound methyl H atoms from delta-F; others geometrically placed"
"sp2-bound methyl H atoms from delta-F; others placed geometrically"
"sp2 Me groups from delta-F; others placed geometrically"
"sp2 methyl H atoms from delta-F; others placed geometrically"
"  The H-atoms of the aromatic rings were localized in their calculated  positions, The other hydrogen atoms were found from the different Fourire  Map."
"those on MeCN and H2O found from delta-F; others geometrically placed"
"those on methyl found from delta-F; others geometrically placed"
"those on methyls bonded to In found from delta-F; others geometrically placed"
" those on O1s, C1S and C2S geometrically placed; others found from delta F"
"those on water molecule, found from delta-F; others placed geometrically"
"undef"
"water and Me H from delta-F; others geometrically placed"
"water and thymine H atoms from delta-F; others placed geometrically"
"water H atoms from delta-F; others placed geometrically"
"water H atoms from \DF, others placed geometrically"
"water H atoms not located; others placed geometrically"
"water Hs located from difmap, others geometrically placed"
"water hydrogens from difference map, others placed geometrically"
"without restraint"