Information card for entry 2218977

Structure parameters

• Chemical name: Bis(<i>O</i>,<i>O</i>'-diphenethyl dithiophosphato-κ^2^S,S')bis(4-methylpyridine-κN)nickel(II)
• Formula: C44 H50 N2 Ni O4 P2 S4
• Calculated formula: C44 H50 N2 Ni O4 P2 S4
• SMILES: S1[Ni]2([S]=P(OCCc3ccccc3)(OCCc3ccccc3)S2)([n]2ccc(cc2)C)([n]2ccc(cc2)C)[S]=P1(OCCc1ccccc1)OCCc1ccccc1
• Title of publication: Bis(<i>O</i>,<i>O</i>'-diphenethyl dithiophosphato-κ^2^<i>S</i>,<i>S</i>')bis(4-methylpyridine-κ<i>N</i>)nickel(II)
• Authors of publication: Feng, Jian-Shen; Cheng, Yu; Zou, Li-Ke; Xie, Bin; Zhang, Xiu-Lan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: m1022
• a: 12.92 ± 0.004 Å
• b: 17.498 ± 0.004 Å
• c: 10.979 ± 0.003 Å
• α: 90°
• β: 113.05 ± 0.03°
• γ: 90°
• Cell volume: 2283.9 ± 1.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0992
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes