Information card for entry 2214867

Structure parameters

• Chemical name: [1,4-Bis(diphenylphosphino)butane-κ^2^P,P'](dithiocarbonato-k^2^S,S')nickel(II)
• Formula: C29 H28 Ni O P2 S2
• Calculated formula: C29 H28 Ni O P2 S2
• SMILES: [Ni]12([P](CCCC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)SC(=O)S2
• Title of publication: [1,4-Bis(diphenylphosphino)butane-κ^2^<i>P</i>,<i>P</i>'](dithiocarbonato-κ^2^<i>S</i>,<i>S</i>')nickel(II)
• Authors of publication: Câmpian, Marius V.; Haiduc, Ionel; Semeniuc, Radu F.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: m2168 - m2168
• a: 10.186 ± 0.0005 Å
• b: 10.6926 ± 0.0006 Å
• c: 14.5447 ± 0.0008 Å
• α: 71.906 ± 0.001°
• β: 82.71 ± 0.001°
• γ: 64.272 ± 0.001°
• Cell volume: 1356.46 ± 0.13 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.045
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes