Information card for entry 7007548

Structure parameters

• Formula: C18 H31 B10 Fe O3 Rh S2
• Calculated formula: C18 H31 B10 Fe O3 Rh S2
• SMILES: [Rh]123456([Fe]7([S]1[C]189%10[C]%11%12%13([S]27)[BH]271[BH]1%148[BH]8%159[BH]9%10%11[BH]%10%11%15[BH]%15%148[BH]871[BH]1%122[BH]%139%10[BH]%11%1581)(C#[O])(C#[O])C#[O])[c]1([cH]6[cH]5[c]4([cH]31)C(C)(C)C)C(C)(C)C
• Title of publication: Synthesis and structure of heterometallic complexes (RhFe, CoFe) containing bridging 1,2-dicarba-closo-dodecarborane-1,2-dichalcogenolato ligands.
• Authors of publication: Cai, Shuyi; Hou, Xiu-Feng; Chen, Yin-Qiang; Jin, Guo-Xin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 31
• Pages of publication: 3736 - 3741
• a: 26.135 ± 0.013 Å
• b: 16.356 ± 0.008 Å
• c: 26.135 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11172 ± 10 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.1139
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0548
• Weighted residual factors for all reflections included in the refinement: 0.0647
• Goodness-of-fit parameter for all reflections included in the refinement: 0.662
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No