Information card for entry 4307610

Structure parameters

• Common name: BisRhssCab
• Formula: C54 H82 B20 N2 Rh2 S4
• Calculated formula: C54 H82 B20 N2 Rh2 S4
• SMILES: [N](#C[Rh]12345([c]6([c]1([c]3([c]4([c]56C)C)C)C)C)S[C]1345[BH]678[BH]9%10%11[BH]%1216[BH]169[BH]93%12[C]3%124(S2)[BH]219[BH]1%116[BH]47%10[BH]321[BH]58%124)c1c(cc(C#CC#Cc2cc(c([N]#C[Rh]34567([c]8([c]3([c]4([c]5([c]68C)C)C)C)C)S[C]3456[BH]89%10[BH]%11%12%13[BH]%14%158[BH]8%16%13[BH]%13%17%12[BH]39%11[BH]35%13[C]596([BH]%148([BH]4%10%155)[BH]%16%1739)S7)c(c2)C(C)C)C(C)C)cc1C(C)C)C(C)C
• Title of publication: Organometallic Fragments Coordinated to a Multiisocyanide Ligand and Their Physical Properties
• Authors of publication: Jong Hyub Paek; Kyu Ho Song; Il Jung; Sang Ook Kang; Jaejung Ko
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 2787 - 2796
• a: 17.2591 ± 0.0007 Å
• b: 20.7769 ± 0.0009 Å
• c: 20.954 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7513.9 ± 0.6 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No