Information card for entry 4303652

Structure parameters

• Formula: C64 H124 N6 Rh S4 Si4
• Calculated formula: C64 H124 N6 Rh S4 Si4
• SMILES: c12c(c(ccc1[Si](C)(C)C)[Si](C)(C)C)S[Rh]1(S2)Sc2c(c(ccc2[Si](C)(C)C)[Si](C)(C)C)S1.C(CCC)[N+](CCCC)(CCCC)CCCC.C(#N)C.C(#N)C.C(CCC)[N+](CCCC)(CCCC)CCCC.C(#N)C.C(#N)C
• 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: 12.6822 ± 0.0006 Å
• b: 13.0168 ± 0.0007 Å
• c: 13.3739 ± 0.0007 Å
• α: 69.06 ± 0.004°
• β: 67.672 ± 0.004°
• γ: 88.844 ± 0.004°
• Cell volume: 1890.22 ± 0.19 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: 0.0612
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No