Information card for entry 4075702

Structure parameters

• Formula: C15 H25 B10 Fe Ir O3 Se2
• Calculated formula: C15 H25 B10 Fe Ir O3 Se2
• SMILES: [Ir]123456([Fe]7([Se]1[C]189%10[BH]%11%12%13[BH]%14%151[BH]1%168[BH]8%179[BH]9%18%16[BH]%16%151[BH]1%12%14[BH]%12%14%11[BH]89([BH]%18%161%12)[C]%10%13%17%14[Se]27)(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 Clusters (IrCo2, IrFe) Containing Bridging 1,2-Dicarba-closo-dodecaborane-1,2-dichalocogenolato Ligands
• Authors of publication: Wang, Jian-Qiang; Hou, Xiufeng; Weng, Linhong; Jin, Guo-Xin
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 5
• Pages of publication: 826
• a: 18.076 ± 0.007 Å
• b: 14.012 ± 0.005 Å
• c: 19.787 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5012 ± 3 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: 0.0577
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No