# data

nel: 4
sg: P-1
formula: - C30 H46 O3 S -
calcformula: - C30 H46 O3 S -
authors: Lindsell, W. Edward; Preston, Peter N.; Seddon, John M.; Rosair, Georgina M.; Woodman, Thomas A.
title: Macroscopic Helical and Cylindrical Morphologies from Achiral 1,3-Diynes
journal: Chemistry of Materials
radType: MoKα
flags: has coordinates
text:
Lindsell, W. Edward; Preston, Peter N.; Seddon, John M.; Rosair, Georgina M.; Woodman, Thomas A.\nMacroscopic Helical and Cylindrical Morphologies from Achiral 1,3-Diynes\nChemistry of Materials\n\n(2000)\n


nel: 4
sg: C 1 2/m 1
sgHall: -C 2y
formula: - Ce3.67 O3 Se6 Ti2 -
calcformula: - Ce3.6884 O3 Se6 Ti2 -
authors: Tougait, Olivier; Ibers, James A.
journal: Chemistry of Materials
radType: MoKα
flags: has coordinates
title:
Synthesis and Characterization of three new rare-earth titanium oxy-selenides : Ln~3.67~Ti~2~O~3~Se~6~ Ln = Ce, Nd, Sm.

text:
Tougait, Olivier; Ibers, James A.\nSynthesis and Characterization of three new rare-earth titanium oxy-selenides : Ln~3.67~Ti~2~O~3~Se~6~ Ln = Ce, Nd, Sm.\nChemistry of Materials\n\n(2000)\n


nel: 4
sg: Pca2(1)
commonname: m-nitroaniline
chemname: m-nitroaniline
formula: - C6 H6 N2 O2 -
calcformula: - C6 H6 N2 O2 -
authors: Andres E. Goeta; Chick C. Wilson; Juan C. Autino; Javier Ellena; Graciela Punte
title: Hydrogen Bonding in Nitroanilines: Neutron Diffraction Study of m-nitroaniline at 100K
journal: Chemistry of Materials
radType: neutron
flags: has coordinates
text:
Andres E. Goeta; Chick C. Wilson; Juan C. Autino; Javier Ellena; Graciela Punte\nHydrogen Bonding in Nitroanilines: Neutron Diffraction Study of m-nitroaniline at 100K\nChemistry of Materials\n\n(2000)\n


nel: 5
sg: R -3 :H
sgHall: -R 3
formula: - Ce9 F18 H67.5 N10.5 O27 -
calcformula: - Ce9 F18 N10.5 O27 -
authors: Ranbo Yu; Dan Wang; Nobuhiro Kumada; Nobukazu Kinomura
title: Novel Open-Framework Material: Cerium Oxyfluoride with CeO~6~F~2~ Dodecahedron
journal: Chemistry of Materials
issue: 12
firstpage: 3527
lastpage: 3529
flags: has coordinates
text:
Ranbo Yu; Dan Wang; Nobuhiro Kumada; Nobukazu Kinomura\nNovel Open-Framework Material: Cerium Oxyfluoride with CeO~6~F~2~ Dodecahedron\nChemistry of Materials\n12(12)\n(2000)\n3527-3529


nel: 6
sg: C 1 c 1
chemname: ethyldiammonium gallium dihydrogen phosphate diphosphate
formula: - C2 H12 Ga N2 O11 P3 -
calcformula: - C2 H12 Ga N2 O11 P3 -
authors: Chippindale, Ann M.
journal: Chemistry of Materials
radType: CuKα
flags: has coordinates
title:
Amine-templated Unidimensional Phosphate-Pyrophosphates of Gallium and Vanadium, [NH3CH2CH2NH3][M(H2PO4)(P2O7)]

text:
Chippindale, Ann M.\nAmine-templated Unidimensional Phosphate-Pyrophosphates of Gallium and Vanadium, [NH3CH2CH2NH3][M(H2PO4)(P2O7)]\nChemistry of Materials\n\n(2000)\n


nel: 5
sg: P 21 21 21
sgHall: P 2ac 2ab
formula: - C28 H28 I O4 P -
calcformula: - C28 H28 I O4 P -
authors: C. Bourgogne; Y. Le Fur; P. Juen; P. Masson; J.-F. Nicoud; R. Masse
journal: Chemistry of Materials
issue: 4
firstpage: 1025
lastpage: 1033
radType: AgKα
flags: has coordinates
title:
Tetra(4-methoxyphenyl)phosphonium Iodide: A Twinned Crystal Built Up with Three-Dimensional Octupolar Nonlinear Optical Chromophores

text:
C. Bourgogne; Y. Le Fur; P. Juen; P. Masson; J.-F. Nicoud; R. Masse\nTetra(4-methoxyphenyl)phosphonium Iodide: A Twinned Crystal Built Up with Three-Dimensional Octupolar Nonlinear Optical Chromophores\nChemistry of Materials\n12(4)\n(2000)\n1025-1033


nel: 6
sg: P2(1)2(1)2(1)
formula: - C10 H56 N10 O29 P6 Ti3 -
calcformula: - C10 H35 N10 O29 P6 Ti3 -
authors: Guo, Yanghong; Shi, Zhan; Yu, Jihong; Liu, Yunling; Pang, Wenqin
title: Solvothermal Synthesis and Characterization of a New Titanium Phosphate with 1-D Chiral Chain
journal: Chemistry of Materials
radType: MoKα
flags: has coordinates
text:
Guo, Yanghong; Shi, Zhan; Yu, Jihong; Liu, Yunling; Pang, Wenqin\nSolvothermal Synthesis and Characterization of a New Titanium Phosphate with 1-D Chiral Chain\nChemistry of Materials\n\n(2001)\n


nel: 4
sg: P 1 21 1
sgHall: P 2yb
formula: - C18 H16 N2 O4 -
calcformula: - C18 H16 N2 O4 -
authors: Muthuraman, Meiyappan; Masse, René; Nicoud, Jean-François; Desiraju, Gautam R
journal: Chemistry of Materials
radType: AgKα
flags: has coordinates
title:
Molecular complexation as a design tool in the crystal engineering of non-centrosymmetric structures. Ideal orientation of chromophores linked by O-H...O and C-H...O hydrogen bonds for nonlinear optics. 4-methylpyridine-1-oxide 4-hydroxy-4'-nitrophenyl.

text:
Muthuraman, Meiyappan; Masse, René; Nicoud, Jean-François; Desiraju, Gautam R\nMolecular complexation as a design tool in the crystal engineering of non-centrosymmetric structures. Ideal orientation of chromophores linked by O-H...O and C-H...O hydrogen bonds for nonlinear optics. 4-methylpyridine-1-oxide 4-hydroxy-4'-nitrophenyl.\nChemistry of Materials\n\n(2001)\n


nel: 4
sg: P 1 21 1
sgHall: P 2yb
formula: - C20 H18 N2 O4 -
calcformula: - C20 H18 N2 O4 -
authors: Muthuraman, Meiyappan; Masse, René; Nicoud, Jean-François; Desiraju, Gautam R
journal: Chemistry of Materials
radType: AgKα
flags: has coordinates
title:
Molecular complexation as a design tool in the crystal engineering of non-centrosymmetric structures. Ideal orientation of chromophores linked by O-H...O and C-H...O hydrogen bonds for nonlinear optics. 4-methylpyridine-1-oxide 4-hydroxy-4'-nitrostilbene.

text:
Muthuraman, Meiyappan; Masse, René; Nicoud, Jean-François; Desiraju, Gautam R\nMolecular complexation as a design tool in the crystal engineering of non-centrosymmetric structures. Ideal orientation of chromophores linked by O-H...O and C-H...O hydrogen bonds for nonlinear optics. 4-methylpyridine-1-oxide 4-hydroxy-4'-nitrostilbene.\nChemistry of Materials\n\n(2001)\n


nel: 4
sg: P c a 21
formula: - C18 H13 N3 O4 -
calcformula: - C18 H13 N3 O4 -
authors: Muthuraman, Meiyappan; Masse, René; Nicoud, Jean-François; Desiraju, Gautam R
journal: Chemistry of Materials
radType: AgKα
flags: has coordinates
title:
Molecular complexation as a design tool in the crystal engineering of non-centrosymmetric structures. Ideal orientation of chromophores linked by O-H...O and C-H...O hydrogen bonds for nonlinear optics. 4-cyanopyridine-1-oxide 4-hydroxy-4'-nitrophenyl.

text:
Muthuraman, Meiyappan; Masse, René; Nicoud, Jean-François; Desiraju, Gautam R\nMolecular complexation as a design tool in the crystal engineering of non-centrosymmetric structures. Ideal orientation of chromophores linked by O-H...O and C-H...O hydrogen bonds for nonlinear optics. 4-cyanopyridine-1-oxide 4-hydroxy-4'-nitrophenyl.\nChemistry of Materials\n\n(2001)\n


nel: 4
sg: P c a 21
formula: - C20 H15 N3 O4 -
calcformula: - C20 H15 N3 O4 -
authors: Muthuraman, Meiyappan; Masse, René; Nicoud, Jean-François; Desiraju, Gautam R
journal: Chemistry of Materials
radType: AgKα
flags: has coordinates
title:
Molecular complexation as a design tool in the crystal engineering of non-centrosymmetric structures. Ideal orientation of chromophores linked by O-H...O and C-H...O hydrogen bonds for nonlinear optics. 4-cyanopyridine-1-oxide 4-hydroxy-4'-nitrostilbene.

text:
Muthuraman, Meiyappan; Masse, René; Nicoud, Jean-François; Desiraju, Gautam R\nMolecular complexation as a design tool in the crystal engineering of non-centrosymmetric structures. Ideal orientation of chromophores linked by O-H...O and C-H...O hydrogen bonds for nonlinear optics. 4-cyanopyridine-1-oxide 4-hydroxy-4'-nitrostilbene.\nChemistry of Materials\n\n(2001)\n


nel: 4
sg: P 1 21/a 1
sgHall: -P 2yab
formula: - C17 H13 N3 O6 -
calcformula: - C17 H13 N3 O6 -
authors: Muthuraman, Meiyappan; Masse, René; Nicoud, Jean-François; Desiraju, Gautam R
journal: Chemistry of Materials
radType: AgKα
flags: has coordinates
title:
Molecular complexation as a design tool in the crystal engineering of non-centrosymmetric structures. Ideal orientation of chromophores linked by O-H...O and C-H...O hydrogen bonds for nonlinear optics. 4-nitropyridine-1-oxide 4-hydroxy-4'-nitrophenyl.

text:
Muthuraman, Meiyappan; Masse, René; Nicoud, Jean-François; Desiraju, Gautam R\nMolecular complexation as a design tool in the crystal engineering of non-centrosymmetric structures. Ideal orientation of chromophores linked by O-H...O and C-H...O hydrogen bonds for nonlinear optics. 4-nitropyridine-1-oxide 4-hydroxy-4'-nitrophenyl.\nChemistry of Materials\n\n(2001)\n


nel: 4
sg: P 1 21 1
sgHall: P 2yb
formula: - C19 H15 N3 O6 -
calcformula: - C19 H14 N3 O6 -
authors: Muthuraman, Meiyappan; Masse, René; Nicoud, Jean-François; Desiraju, Gautam R
journal: Chemistry of Materials
radType: AgKα
flags: has coordinates
title:
Molecular complexation as a design tool in the crystal engineering of non-centrosymmetric structures. Ideal orientation of chromophores linked by O-H...O and C-H...O hydrogen bonds for nonlinear optics. 4-nitropyridine-1-oxide 4-hydroxy-4'-nitrostilbene.

text:
Muthuraman, Meiyappan; Masse, René; Nicoud, Jean-François; Desiraju, Gautam R\nMolecular complexation as a design tool in the crystal engineering of non-centrosymmetric structures. Ideal orientation of chromophores linked by O-H...O and C-H...O hydrogen bonds for nonlinear optics. 4-nitropyridine-1-oxide 4-hydroxy-4'-nitrostilbene.\nChemistry of Materials\n\n(2001)\n


nel: 3
sg: P 1 21/n 1
sgHall: -P 2yn
chemname: spiro[4,5]([2,1-b:3,4-b']dithieno)decane
formula: - C14 H14 S2 -
calcformula: - C14 H14 S2 -
title: Steric Control of Conductivity in Highly Conjugated Polythiophenes'
journal: Chemistry of Materials
radType: MoKα
flags: has coordinates
authors:
Benincori, T.; Consonni, V.; Gramatica, P.; Pilati, T.; Rizzo, S.; Sannicolo,́ F.; Todeschini, R'; Zotti, G.

text:
Benincori, T.; Consonni, V.; Gramatica, P.; Pilati, T.; Rizzo, S.; Sannicolo,́ F.; Todeschini, R'; Zotti, G.\nSteric Control of Conductivity in Highly Conjugated Polythiophenes'\nChemistry of Materials\n\n(2001)\n


nel: 4
sg: P 1 21/a 1
sgHall: -P 2yab
formula: - C12 H10 O S9 -
calcformula: - C12 H10 O S9 -
journal: Chemistry of Materials
radType: MoKα
flags: has coordinates
title:
Tetrathiafulvalene Derivatives Linking a Dichalcogenolane Ring through the sigma-bond: New Donor Components for Organic Metals

text:
\nTetrathiafulvalene Derivatives Linking a Dichalcogenolane Ring through the sigma-bond: New Donor Components for Organic Metals\nChemistry of Materials\n\n(2001)\n


nel: 5
sg: C 1 2 1
sgHall: C 2y
chemname: Bis(N-pentadecylpyridinium)tetrachlorocuprate(II)
formula: - C40 H72 Cl4 Cu N2 -
calcformula: - C20 H36 Cl2.003 Cu0.501 N -
authors: Francesco Neve; Oriano Francescangeli; Alessandra Crispini; Jonathan Charmant
title: A2MX4 Copper(II) Pyridinium Salts. From Ionic Liquids to Layered Solids to Liqui
journal: Chemistry of Materials
radType: MoKα
flags: has coordinates,has disorder
text:
Francesco Neve; Oriano Francescangeli; Alessandra Crispini; Jonathan Charmant\nA2MX4 Copper(II) Pyridinium Salts. From Ionic Liquids to Layered Solids to Liqui\nChemistry of Materials\n\n(2001)\n


nel: 8
sg: P-31c
formula: - C6 H28 Cl Co N6 O26 P6 Zn8 -
calcformula: - C6 H24 Cl Co N6 O26 P6 Zn8 -
authors: Yu, Jihong; Wang, Yu; Shi, Zhan; Xu, Ruren
title: Hydrothermal Synthesis and Characterization of Two New Zinc Phosphates Assembled
journal: Chemistry of Materials
radType: MoKα
flags: has coordinates
text:
Yu, Jihong; Wang, Yu; Shi, Zhan; Xu, Ruren\nHydrothermal Synthesis and Characterization of Two New Zinc Phosphates Assembled\nChemistry of Materials\n\n(2001)\n


nel: 7
sg: C 1 2/c 1
sgHall: -C 2yc
formula: - C12 H56 Co2 N12 O32 P8 Zn6 -
calcformula: - C12 H56 Co2 N12 O32 P8 Zn6 -
authors: Yu, Jihong; Wang, Yu; Shi, Zhan; Xu, Ruren
journal: Chemistry of Materials
radType: MoKα
flags: has coordinates
title:
Hydrothermal Synthesis and Characterization of Two New Zinc Phosphates Assembled about a Chiral Metal Complex: [CoII(en)3]2¡¤[Zn6P8O32H8] and [CoIII(en)3][Zn8P6O24Cl]¡¤2H2O

text:
Yu, Jihong; Wang, Yu; Shi, Zhan; Xu, Ruren\nHydrothermal Synthesis and Characterization of Two New Zinc Phosphates Assembled about a Chiral Metal Complex: [CoII(en)3]2¡¤[Zn6P8O32H8] and [CoIII(en)3][Zn8P6O24Cl]¡¤2H2O\nChemistry of Materials\n\n(2001)\n


nel: 6
sg: C 1 2/c 1
sgHall: -C 2yc
formula: - C15 H12 Cd Cl2 N4 O7 -
calcformula: - C15 H12 Cd Cl2 N4 O7 -
authors: Zaman, Md. Badruz; Smith, Mark D.; zur Loye, Hans-Conrad
journal: Chemistry of Materials
radType: MoKα
flags: has coordinates
title:
Organizing chain and square-grid architectures by employing coordination bonds between inorganic and organic components. New coordination polymers formed from Cd(II), Co(II) and Cu(II) nitrate salts and 1,4-bis(4-pyridyl)butadiyne

text:
Zaman, Md. Badruz; Smith, Mark D.; zur Loye, Hans-Conrad\nOrganizing chain and square-grid architectures by employing coordination bonds between inorganic and organic components. New coordination polymers formed from Cd(II), Co(II) and Cu(II) nitrate salts and 1,4-bis(4-pyridyl)butadiyne\nChemistry of Materials\n\n(2001)\n


nel: 5
sg: Pbca
formula: - C H4 Mn N Se -
calcformula: - C H4 Mn N Se -
journal: Chemistry of Materials
radType: MoKα
flags: has coordinates
title:
Inorganic-Organic Hybrid Composites Containing MQ (II-VI) Slabs: A New Class of Nanostructures with Strong Quantum Confinement and Periodic Arrangement

text:
\nInorganic-Organic Hybrid Composites Containing MQ (II-VI) Slabs: A New Class of Nanostructures with Strong Quantum Confinement and Periodic Arrangement\nChemistry of Materials\n\n(2001)\n


nel: 5
sg: P 1 21/n 1
formula: - C12 H14 Cu F3 O2 -
calcformula: - C12 Cu F6 O2 -
authors: Chen, T.,Y.; Vaissermann, J.; Ruiz, E.; Senateur, J.P.; Doppelt, P.
title: Beta-Diketonate Copper(I) Complexes...
journal: Chemistry of Materials
radType: MoKα
flags: has coordinates
text:
Chen, T.,Y.; Vaissermann, J.; Ruiz, E.; Senateur, J.P.; Doppelt, P.\nBeta-Diketonate Copper(I) Complexes...\nChemistry of Materials\n\n(2001)\n


nel: 4
sg: C 1 2/c 1
sgHall: -C 2yc
formula: - H21 N3 O39 U11 -
calcformula: - N3 O39 U11 -
journal: Chemistry of Materials
radType: MoKα
flags: has coordinates
title:
Synthesis and Structural Characterization and Topological Re-arrangement of a Novel Open Framework U-O Material: (NH4)3(H2O)2{[(UO2)10O10(OH)][(UO4)(H2O)2]}

text:
\nSynthesis and Structural Characterization and Topological Re-arrangement of a Novel Open Framework U-O Material: (NH4)3(H2O)2{[(UO2)10O10(OH)][(UO4)(H2O)2]}\nChemistry of Materials\n\n(2001)\n


