Information card for entry 4111210

Structure parameters

• Formula: C40.5 H41 B6 Cl Fe Ir N2 O3 P
• Calculated formula: C40.5 H41 B6 Cl Fe Ir N2 O3 P
• 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: 10.3944 ± 0.0003 Å
• b: 18.816 ± 0.0006 Å
• c: 21.2227 ± 0.0006 Å
• α: 90°
• β: 91.146 ± 0.001°
• γ: 90°
• Cell volume: 4149.9 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No