Information card for entry 7004756

Structure parameters

• Formula: C6 H13 Br N3 O2 Re
• Calculated formula: C6 H13 Br N3 O2 Re
• SMILES: [Re]12(Br)(C#[O])(C#[O])[NH2]CC[NH]1CC[NH2]2
• Title of publication: Ligand-mediated decarbonylation as an efficient synthetic method to Re(i) and Re(ii) dicarbonyl complexes
• Authors of publication: Zobi, Fabio; Spingler, Bernhard; Alberto, Roger
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 39
• Pages of publication: 5287 - 5289
• a: 7.1668 ± 0.0001 Å
• b: 12.1894 ± 0.0003 Å
• c: 11.8617 ± 0.0002 Å
• α: 90°
• β: 104.295 ± 0.002°
• γ: 90°
• Cell volume: 1004.14 ± 0.03 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.0457
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No