Information card for entry 4303651

Structure parameters

• Formula: C40 H76 Co N S4 Si4
• Calculated formula: C40 H76 Co N S4 Si4
• Title of publication: Square Planar Bis{3,6-bis(trimethylsilyl)benzene-1,2-dithiolato}metal Complexes of CrII, CoIII, and RhII: An Experimental and Density Functional Theoretical Study
• Authors of publication: Flávio Luiz Benedito; Taras Petrenko; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 10913 - 10925
• a: 11.8504 ± 0.0008 Å
• b: 13.8399 ± 0.001 Å
• c: 16.7034 ± 0.001 Å
• α: 112.59 ± 0.003°
• β: 91.552 ± 0.003°
• γ: 98.818 ± 0.003°
• Cell volume: 2488.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1067
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No