Information card for entry 7017784

Structure parameters

• Formula: C13 H20 Cl N2 O3 Re
• Calculated formula: C13 H20 Cl N2 O3 Re
• SMILES: [Re]1(Cl)(C#[O])(C#[O])(C#[O])[N](=CC=[N]1C(C)(C)C)C(C)(C)C
• Title of publication: (α-Diimine)tricarbonylhalorhenium complexes: the oxidation side.
• Authors of publication: Drozdz, Anita; Bubrin, Martina; Fiedler, Jan; Záliš, Stanislav; Kaim, Wolfgang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 3
• Pages of publication: 1013 - 1019
• a: 6.2459 ± 0.0008 Å
• b: 13.6956 ± 0.0019 Å
• c: 18.873 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1614.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1106
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.1416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No