Information card for entry 4070583

Structure parameters

• Formula: C14 H14 Br2 N4 O4 Rh2
• Calculated formula: C14 H14 Br2 N4 O4 Rh2
• SMILES: [Rh](Br)(C#[O])(C#[O])=C1N(CCN2C(=[Rh](Br)(C#[O])C#[O])N(C=C2)C)C=CN1C
• 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: 12.8695 ± 0.0013 Å
• b: 13.727 ± 0.0014 Å
• c: 11.6622 ± 0.0012 Å
• α: 90°
• β: 93.176 ± 0.002°
• γ: 90°
• Cell volume: 2057.1 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0276
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.0578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No