Information card for entry 7007866

Structure parameters

• Common name: 1b
• Formula: C43 H41 B11 Cl6 F Ir P2
• Calculated formula: C43 H41 B11 Cl6 F Ir P2
• SMILES: [Ir]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[Cl][B]2345[BH]678[CH]9%10%11[BH]%12%136[BH]6%14%11[BH]%11%15%10[BH]279[B]24%11(Cl)[B]46%15(Cl)[B]6%13%14(Cl)[B]38%12([Cl]1)[B]5246Cl.c1(ccccc1)F
• 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: 35.046 ± 0.004 Å
• b: 13.018 ± 0.0017 Å
• c: 23.823 ± 0.003 Å
• α: 90°
• β: 97.571 ± 0.008°
• γ: 90°
• Cell volume: 10774 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2923
• Residual factor for significantly intense reflections: 0.1691
• Weighted residual factors for significantly intense reflections: 0.3706
• Weighted residual factors for all reflections included in the refinement: 0.4497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No