Information card for entry 7007867

Structure parameters

• Common name: 3b
• Formula: C37.75 H39.5 B11 Cl1.5 I6 Ir P2
• Calculated formula: C37.75 H39.5 B11 Cl1.5 I6 Ir P2
• 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: 15.732 ± 0.0001 Å
• b: 16.962 ± 0.0002 Å
• c: 20.425 ± 0.0002 Å
• α: 71.146 ± 0.0005°
• β: 79.174 ± 0.0004°
• γ: 88.906 ± 0.0004°
• Cell volume: 5061.02 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No