Information card for entry 7005793

Structure parameters

• Formula: C24 H50 B20 Ir3 O Se4
• Calculated formula: C24 H50 B20 Ir3 O Se4
• SMILES: [Ir]123([Se]4[Ir]567([Se]1[C]189%10[B]%11%13%122[BH]2%141[BH]1%158[B]8%169(OCC)[BH]9%17%15[BH]%15%141[BH]1%112[BH]2%14%13[BH]89([BH]%15%1712)[C]%10%12%16%144)[CH]1CC[CH]7=[CH]5CC[CH]6=1)[Se]1[Ir]2456([Se]3[C]3789[BH]%10%11%12[BH]%13%143[BH]3%158[BH]8%169[BH]9%17%15[BH]%15%133[BH]3%12%14[BH]%12%13%11[BH]89([BH]%17%153%12)[C]7%10%16%131)[c]1([c]2([c]5([c]6([c]41C)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: 15.223 ± 0.006 Å
• b: 20.797 ± 0.008 Å
• c: 14.135 ± 0.006 Å
• α: 90°
• β: 110.007 ± 0.006°
• γ: 90°
• Cell volume: 4205 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.105
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1501
• Weighted residual factors for all reflections included in the refinement: 0.1596
• Goodness-of-fit parameter for all reflections included in the refinement: 0.76
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No