Information card for entry 8100602

Structure parameters

• Formula: C12 H16 N2 Ni O8 S
• Calculated formula: C12 H16 N2 Ni O8 S
• SMILES: [Ni]1([n]2cccc3ccc4ccc[n]1c4c23)(OS(=O)(=O)[O-])([OH2])([OH2])[OH2].O
• Title of publication: Crystal structure of triaqua(1,10-phenanthroline-N,N')sulfatonickel (II) hydrate, Ni(H~2~O)~3~(C~12~H~8~N~2~)(SO~4~) · H~2~O
• Authors of publication: Zheng, Yue-Qing; Kong, Zu-Ping; Lin, Jian-Li
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2002
• Journal volume: 217
• Journal issue: 2
• Pages of publication: 197 - 198
• a: 7.968 ± 0.001 Å
• b: 8.571 ± 0.001 Å
• c: 11.555 ± 0.001 Å
• α: 91.95 ± 0.01°
• β: 92.08 ± 0.01°
• γ: 104.31 ± 0.01°
• Cell volume: 763.39 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No