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1000128
Actelion Java MolfileCreator 1.0
28 24 0 0 0 0 0 0 0 0999 V2000
2.0055 -0.1494 -0.7515 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.1088 -0.2072 -7.7525 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4193 -0.1308 -6.2724 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0689 -2.5831 -7.9113 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3211 -2.2508 -10.5758 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0763 -4.6520 -9.4063 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0610 -1.9903 -7.0136 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7818 -2.9848 -8.7416 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9899 -4.6775 -7.4830 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2060 -2.7810 -9.5673 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4191 -3.0184 -9.3218 Cr 0 0 0 0 0 0 0 0 0 0 0 0
3.2849 -3.1469 -8.1146 Cr 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -0.0000 -0.0000 Pd 0 0 0 0 0 0 0 0 0 0 0 0
-1.5837 -0.0000 -5.7105 Pd 0 0 0 0 0 0 0 0 0 0 0 0
-0.1086 -2.0748 -0.1085 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1086 2.0748 0.1085 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.0055 0.1494 0.7515 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0585 0.2072 -3.6684 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.5866 0.1308 -5.1486 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0689 2.5831 7.9113 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3211 2.2508 10.5758 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0763 4.6520 9.4063 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0610 1.9903 7.0136 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7818 2.9848 8.7416 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9899 4.6775 7.4830 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2060 2.7810 9.5673 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4191 3.0184 9.3218 Cr 0 0 0 0 0 0 0 0 0 0 0 0
-3.2849 3.1469 8.1146 Cr 0 0 0 0 0 0 0 0 0 0 0 0
11 4 8 0 0 0 0
11 5 8 0 0 0 0
11 6 8 0 0 0 0
11 10 8 0 0 0 0
12 7 8 0 0 0 0
12 8 8 0 0 0 0
12 9 8 0 0 0 0
12 10 8 0 0 0 0
13 1 8 0 0 0 0
13 15 8 0 0 0 0
13 16 8 0 0 0 0
13 17 8 0 0 0 0
14 2 8 0 0 0 0
14 3 8 0 0 0 0
14 18 8 0 0 0 0
14 19 8 0 0 0 0
27 20 8 0 0 0 0
27 21 8 0 0 0 0
27 22 8 0 0 0 0
27 26 8 0 0 0 0
28 23 8 0 0 0 0
28 24 8 0 0 0 0
28 25 8 0 0 0 0
28 26 8 0 0 0 0
M CHG 8 4 -2 5 -2 6 -2 7 -2 8 -2 9 -2 10 -2 11 5
M CHG 8 12 5 13 4 14 4 20 -2 21 -2 22 -2 23 -2 24 -2
M CHG 4 25 -2 26 -2 27 5 28 5
M END
> <COD_SDF_DATA_SOURCE_FILE>
1000128.cif
> <COD_SDF_DATA_SOURCE_BLOCK>
1000128
> <COD_SDF_STRUCTURE_HAS_ATTACHED_HYDROGENS>
yes
> <COD_SDF_ATTACHED_HYDROGEN_ATOMS>
1 3
2 3
3 3
15 3
16 3
17 3
18 3
19 3
> <COD_SDF_SPACE_GROUP_IT_NUMBER>
14
> <COD_SDF_SOFTWARE_PACKAGE_NAME>
cif-perceive-chemistry
> <COD_SDF_SOFTWARE_PACKAGE_VERSION>
0.4.0
> <COD_SDF_CREATION_TIMESTAMP>
2024-10-10T11:17:58+03:00
> <COD_SDF_ISSUES>
> <COD_SDF_CIF_SVN_REVISION>
200367
> <COD_SDF_VALIDITY_STATUS>
1
> <PUBCHEM_EXT_DATASOURCE_REGID>
1000128
> <PUBCHEM_SUBSTANCE_SYNONYM>
Tetraamminepalladium dichromate
> <PUBCHEM_SUBSTANCE_COMMENT>
Laligant, Y; Le Bail, A, (1995), Structure of (Pd (N H3)4) Cr2 O7, Powder Diffraction, 10, 3, 159-164. https://doi.org/10.1017/S0885715600014640
> <PUBCHEM_EXT_DATASOURCE_URL>
https://www.crystallography.net/cod/
> <PUBCHEM_EXT_SUBSTANCE_URL>
https://www.crystallography.net/cod/1000128.html
$$$$
|
