Information card for entry 4111211

Structure parameters

• Formula: C63 H66 B7 Fe2 Ir N2 O5 P2
• Calculated formula: C63 H66 B7 Fe2 Ir N2 O5 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: 22.865 ± 0.0018 Å
• b: 18.6091 ± 0.0014 Å
• c: 29.1411 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12399.5 ± 1.6 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0839
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0783
• 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