Information card for entry 4070586

Structure parameters

• Formula: C45 H50 Br Cl6 I N6 O2 P2 Rh2
• Calculated formula: C42 H44 Br I N6 O2 P2 Rh2
• SMILES: [Rh]1([P](C[P]([Rh](Br)(C#[O])=C2N(CCN3C=1N(C)C=C3)C=CN2C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])=C1N(C=CN1C)C.[I-]
• Title of publication: A-Frame Complexes of Dirhodium Bridged by Dicarbene and Diphosphine Ligands
• Authors of publication: Wells, Kyle D.; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 4
• Pages of publication: 691
• a: 14.2878 ± 0.0009 Å
• b: 14.4048 ± 0.0009 Å
• c: 15.9943 ± 0.001 Å
• α: 105.019 ± 0.0008°
• β: 113.443 ± 0.0008°
• γ: 97.7086 ± 0.0009°
• Cell volume: 2810.5 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No