Information card for entry 7035605

Structure parameters

• Common name: Mes2tBu2S2NiPCy3
• Formula: C66 H89 Ni O P S2
• Calculated formula: C66 H89 Ni O P S2
• Title of publication: Binuclear complexes of Ni(i) from 4-terphenyldithiophenol.
• Authors of publication: Koch, Felix; Schubert, Hartmut; Sirsch, Peter; Berkefeld, Andreas
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 29
• Pages of publication: 13315 - 13324
• a: 9.7947 ± 0.0005 Å
• b: 31.5469 ± 0.0016 Å
• c: 19.7427 ± 0.0011 Å
• α: 90°
• β: 94.199 ± 0.003°
• γ: 90°
• Cell volume: 6084 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1112
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.1898
• Weighted residual factors for all reflections included in the refinement: 0.2111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No