Information card for entry 7007868

Structure parameters

• Common name: 8b
• Formula: C17 H30 B11 I6 Ir P2
• Calculated formula: C17 H30 B11 I6 Ir P2
• SMILES: [IrH2]1([I][B]2345[BH]678[CH]9%10%11[BH]%12%136[BH]6%14%11[BH]%11%15%10[BH]279[B]24%11(I)[B]46%15(I)[B]6%13%14(I)[B]38%12([I]1)[B]5246I)([P](c1ccccc1)(C)C)[P](c1ccccc1)(C)C
• Title of publication: The role of halogenated carborane monoanions in olefin hydrogenation catalysed by cationic iridium phosphine complexes.
• Authors of publication: Moxham, Gemma L.; Douglas, Thomas M.; Brayshaw, Simon K.; Kociok-Köhn, Gabriele; Lowe, John P.; Weller, Andrew S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 46
• Pages of publication: 5492 - 5505
• a: 13.737 ± 0.0002 Å
• b: 15.39 ± 0.0002 Å
• c: 17.55 ± 0.0003 Å
• α: 90°
• β: 105.952 ± 0.001°
• γ: 90°
• Cell volume: 3567.41 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0373
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No