Information card for entry 7015806

Structure parameters

• Chemical name: Bis(4,4'-bipyridine-κ<i>N</i>^1^)(dibromo)dicarbonylrhenium(II)
• Formula: C22 H16 Br2 N4 O2 Re
• Calculated formula: C22 H16 Br2 N4 O2 Re
• SMILES: C(#[O])[Re]([n]1ccc(cc1)c1ccncc1)(Br)(C#[O])([n]1ccc(cc1)c1ccncc1)Br
• 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: 20.1957 ± 0.0016 Å
• b: 10.5929 ± 0.0002 Å
• c: 15.8194 ± 0.0013 Å
• α: 90°
• β: 137.672 ± 0.015°
• γ: 90°
• Cell volume: 2278.9 ± 0.7 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0299
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.0416
• Weighted residual factors for all reflections included in the refinement: 0.0425
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No