Information card for entry 2218040

Structure parameters

• Chemical name: Chlorido(ethyldiphenylphosphine-κ<i>P</i>)(1-pyrrolidinecarbodithioato- κ^2^<i>S</i>,<i>S</i>')nickel(II)
• Formula: C19 H23 Cl N Ni P S2
• Calculated formula: C19 H23 Cl N Ni P S2
• SMILES: [Ni]1(Cl)([P](c2ccccc2)(c2ccccc2)CC)SC(=[S]1)N1CCCC1
• Title of publication: Chlorido(ethyldiphenylphosphine-κ<i>P</i>)(1-pyrrolidinecarbodithioato-κ^2^<i>S</i>,<i>S</i>')nickel(II)
• Authors of publication: Kropidłowska, Anna; Turowska-Tyrk, Ilona; Becker, Barbara
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: m748
• a: 6.5218 ± 0.0005 Å
• b: 19.1695 ± 0.0015 Å
• c: 16.6178 ± 0.0014 Å
• α: 90°
• β: 90.786 ± 0.006°
• γ: 90°
• Cell volume: 2077.4 ± 0.3 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 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: 0.0484
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes