Information card for entry 7005796

Structure parameters

• Formula: C16 H33 B10 Ir O2 Se2
• Calculated formula: C16 H33 B10 Ir O2 Se2
• SMILES: [Ir]12345([Se][C]6789[C]%10%11%12([Se]1)[B]1%136([BH]6%147[BH]7%158[B]89%10([BH]9%10%15[BH]%15%147[BH]7%136[BH]6%111[BH]%1289[BH]%10%1576)OCC)OCC)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• Title of publication: Construction of trinuclear iridium clusters through ancillary ortho-carborane-1,2-diselenolato ligands, with simultaneous iridium-induced B-H activation.
• Authors of publication: Liu, Shuang; Wang, Jian-Qiang; Weng, Lin-Hong; Jin, Guo-Xin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 34
• Pages of publication: 3792 - 3797
• a: 8.529 ± 0.003 Å
• b: 10.99 ± 0.004 Å
• c: 15.799 ± 0.006 Å
• α: 71.303 ± 0.005°
• β: 87.312 ± 0.005°
• γ: 71.952 ± 0.004°
• Cell volume: 1331.5 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0601
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No