Information card for entry 4071434

Structure parameters

• Formula: C44 H59 B11 Ir N O P2 Sn
• Calculated formula: C44 H59 B11 Ir N O P2 Sn
• SMILES: [Ir]([Sn]1234[BH]567[BH]89%10[BH]%1115[BH]153[BH]3%122[BH]2%13%14[BH]%159([BH]8%111[BH]5%12%14%15)[BH]6%102[BH]473%13)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)C#[O].[N+](CC)(CC)(C)CC
• Title of publication: Iridium Coordination Compounds of Stanna-closo-dodecaborate
• Authors of publication: Kirchmann, Marius; Fleischhauer, Sebastian; Wesemann, Lars
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 12
• Pages of publication: 2803
• a: 20.38 ± 0.005 Å
• b: 18.465 ± 0.007 Å
• c: 13.154 ± 0.003 Å
• α: 90°
• β: 97.689 ± 0.019°
• γ: 90°
• Cell volume: 4906 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.1531
• Residual factor for significantly intense reflections: 0.1046
• Weighted residual factors for significantly intense reflections: 0.1645
• Weighted residual factors for all reflections included in the refinement: 0.1796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.237
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No