Information card for entry 4111208

Structure parameters

• Formula: C48 H50 B7 Fe2 Ir O6 P2
• Calculated formula: C48 H50 B7 Fe2 Ir O6 P2
• Title of publication: Iridium-Iron-Monocarborane Clusters from Oxidative Insertion Reactions of [IrCl(CO)(PPh~3~)~2~] with Ferracarborane Anions
• Authors of publication: Andreas Franken; Thomas D. McGrath; F. Gordon A. Stone
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 16169 - 16177
• a: 10.7087 ± 0.0007 Å
• b: 15.2385 ± 0.001 Å
• c: 16.2322 ± 0.0012 Å
• α: 72.062 ± 0.004°
• β: 82.995 ± 0.004°
• γ: 82.308 ± 0.003°
• Cell volume: 2488.2 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.077
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No