Information card for entry 2211004

Structure parameters

• Chemical name: Bis[O,O'-bis(2-phenylethyl) dithiophosphato]dipyridinenickel(II)
• Formula: C42 H46 N2 Ni O4 P2 S4
• Calculated formula: C42 H46 N2 Ni O4 P2 S4
• SMILES: [Ni]12([S]=P(S1)(OCCc1ccccc1)OCCc1ccccc1)([S]=P(S2)(OCCc1ccccc1)OCCc1ccccc1)([n]1ccccc1)[n]1ccccc1
• Title of publication: Bis[<i>O</i>,<i>O</i>'-bis(2-phenylethyl)dithiophosphato]dipyridinenickel(II)
• Authors of publication: Zou, Li-Ke; Xie, Bin; Zhao, Bin; Jiang, Wei-Dong; Wu, Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m2830 - m2831
• a: 9.24 ± 0.003 Å
• b: 16.124 ± 0.008 Å
• c: 14.148 ± 0.007 Å
• α: 90°
• β: 92.07 ± 0.04°
• γ: 90°
• Cell volume: 2106.5 ± 1.6 ų
• Cell temperature: 289 ± 2 K
• Ambient diffraction temperature: 289 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0908
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes