Information card for entry 2200297

Structure parameters

• Chemical name: Bis(μ-diphenylthiophosphinito-S:P)bis[(η^5^-cyclopentadienyl)nickel(II)]
• Formula: C34 H30 Ni2 P2 S2
• Calculated formula: C34 H30 Ni2 P2 S2
• SMILES: [Ni]1([cH]23)([cH]24)([cH]32)([cH]23)([cH]34)[P](c2ccccc2)(c2ccccc2)S[Ni]([cH]23)([cH]24)([cH]32)([cH]23)([cH]34)[P](S1)(c1ccccc1)c1ccccc1
• Title of publication: Bis(μ-diphenylthiophosphinito-<i>S</i>:<i>P</i>)bis[(η^5^-cyclopentadienyl)nickel(II)]
• Authors of publication: Hoong-Kun Fun; Suchada Chantrapromma; Ibrahim Abdul Razak; Qian-Feng Zhang; Xinquan Xin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 5
• Pages of publication: m190 - m191
• a: 9.4231 ± 0.0002 Å
• b: 14.5514 ± 0.0002 Å
• c: 22.2014 ± 0.0004 Å
• α: 90°
• β: 94.56 ± 0.001°
• γ: 90°
• Cell volume: 3034.6 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0457
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes