Information card for entry 4310759

Structure parameters

• Common name: [Re(CO)3Br(SB)]
• Chemical name: [2-(1-n-butyliminomethyl)pyridine-N,N]bromotricarbonylrhenium(I)
• Formula: C13 H14 Br N2 O3 Re
• Calculated formula: C13 H14 Br N2 O3 Re
• SMILES: [Re]1(Br)(C#[O])(C#[O])(C#[O])[n]2ccccc2C=[N]1CCCC
• Title of publication: Tricarbonylrhenium(I) Complexes with Thiosemicarbazone Derivatives of 2-Acetylpyridine and 2-Pyridine Formamide Showing Two Unusual Coordination Modes of Tridentate Thiosemicarbazone Ligands
• Authors of publication: Isabel García Santos; Ulrich Abram; Roger Alberto; Ezequiel Vázquez López; Agustín Sánchez
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 1834 - 1836
• a: 7.218 ± 0.005 Å
• b: 8.088 ± 0.006 Å
• c: 13.936 ± 0.009 Å
• α: 77.57 ± 0.05°
• β: 77.81 ± 0.05°
• γ: 82.06 ± 0.05°
• Cell volume: 772.9 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for all reflections: 0.0804
• Weighted residual factors for significantly intense reflections: 0.078
• Goodness-of-fit parameter for all reflections: 1.115
• Goodness-of-fit parameter for significantly intense reflections: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No