Information card for entry 2200786

Structure parameters

• Formula: C36 H62 Cl2 Ni P2 S2
• Calculated formula: C36 H62 Cl2 Ni P2 S2
• SMILES: c1(ccc(cc1)Cl)S[Ni]([P](CCCC)(CCCC)CCCC)([P](CCCC)(CCCC)CCCC)Sc1ccc(cc1)Cl
• Title of publication: Bis(<i>p</i>-chlorothiophenolato)bis(tri-<i>n</i>-butylphosphine)nickel(II)
• Authors of publication: Ilia A. Guzei; Makwena J. Moloto; James Darkwa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 12
• Pages of publication: m568 - m569
• a: 8.6314 ± 0.0007 Å
• b: 10.3062 ± 0.0008 Å
• c: 11.972 ± 0.0009 Å
• α: 75.4198 ± 0.001°
• β: 83.3078 ± 0.001°
• γ: 84.9883 ± 0.001°
• Cell volume: 1021.81 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No