Information card for entry 7015805

Structure parameters

• Chemical name: (2,2'-bipyrimidine-κ^2^<i>N</i>^1^,<i>N</i>^1'^)(dibromo)dicarbonylrhenium(II)
• Formula: C10 H6 Br2 N4 O2 Re
• Calculated formula: C10 H6 Br2 N4 O2 Re
• SMILES: [Re]1(Br)(Br)(C#[O])(C#[O])[n]2cccnc2c2[n]1cccn2
• Title of publication: Reactivity of 17 e- complex [Re(II)Br4(CO)2]2- with bridging aromatic ligands. Characterization and CO-releasing properties.
• Authors of publication: Zobi, Fabio; Blacque, Olivier
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 18
• Pages of publication: 4994 - 5001
• a: 9.3844 ± 0.0002 Å
• b: 10.926 ± 0.0002 Å
• c: 13.6043 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1394.9 ± 0.05 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections included in the refinement: 0.0511
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No