Information card for entry 7007547

Structure parameters

• Formula: C15 H25 B10 Fe O3 Rh Se2
• Calculated formula: C15 H25 B10 Fe O3 Rh Se2
• SMILES: [Rh]123456([Se]7[Fe]2([Se]1[C]1289[C]%10%11%127[BH]7%131[BH]1%14%10[BH]%10%15%11[BH]%112%12[BH]2%12%15[BH]%15%14%10[BH]%10%131[BH]187[BH]9%112[BH]%12%15%101)(C#[O])(C#[O])C#[O])[c]1([c]3([c]4([c]5([c]61C)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: 18.114 ± 0.005 Å
• b: 13.98 ± 0.004 Å
• c: 19.704 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4990 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.1203
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0429
• Weighted residual factors for all reflections included in the refinement: 0.0518
• Goodness-of-fit parameter for all reflections included in the refinement: 0.588
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No