Information card for entry 4111209

Structure parameters

• Formula: C26 H23 B7 Fe2 Ir O7 P
• Calculated formula: C26 H23 B7 Fe2 Ir O7 P
• SMILES: [CH]123[BH]456[BH]781[BH]192[BH]234[BH]349[BH]9%1071[IrH]17%1168([BH]523[Fe]491(C#[O])(C#[O])(C#[O])[FeH]%107([H]%11)(C#[O])(C#[O])C#[O])(C#[O])[P](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 8.8989 ± 0.0009 Å
• b: 10.8924 ± 0.001 Å
• c: 16.6302 ± 0.0015 Å
• α: 105.488 ± 0.003°
• β: 93.845 ± 0.004°
• γ: 96.441 ± 0.004°
• Cell volume: 1535.7 ± 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: 0.0378
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No