Information card for entry 1551727

Structure parameters

• Formula: C34 H46 N2 Ni O2 P2 S4
• Calculated formula: C34 H46 N2 Ni O2 P2 S4
• SMILES: [n]1([Ni]23([S]=P(c4ccc(cc4)OC)(CCC(C)C)S2)([n]2ccccc2)[S]=P(c2ccc(cc2)OC)(CCC(C)C)S3)ccccc1
• Title of publication: Synthesis and Determination of Crystal and Molecular Structure of {Bispyridine-bis[4-methoxyphenyl(3-methylbutyl)dithiophosphinato]}nickel(II)
• Authors of publication: SAGLAM, Ertugrul Gazi; ÇELIK, Ömer; IDE, Semra; YILMAZ, Hamza
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2011
• Journal volume: 27
• Pages of publication: 23
• a: 12.4968 ± 0.0012 Å
• b: 9.7051 ± 0.001 Å
• c: 16.0975 ± 0.0017 Å
• α: 90 ± 0.009°
• β: 101.734 ± 0.008°
• γ: 90 ± 0.009°
• Cell volume: 1911.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0973
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No