Information card for entry 4071432

Structure parameters

• Formula: C46 H61 B11 Ir N O2 P2 Sn
• Calculated formula: C46 H61 B11 Ir N O2 P2 Sn
• SMILES: [Ir]([Sn]1234[BH]567[BH]891[BH]1%10%11[BH]%12%13%14[BH]%156([BH]635[BH]352[BH]%12%156[BH]%11%145[BH]4813)[BH]79%10%13)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O].[N+](CC)(CC)(CC)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: 12.381 ± 0.005 Å
• b: 14.88 ± 0.003 Å
• c: 13.831 ± 0.004 Å
• α: 90°
• β: 98.11 ± 0.03°
• γ: 90°
• Cell volume: 2522.6 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0559
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No