Information card for entry 4311671

Structure parameters

• Formula: C14 H16 Cl2 N4 Re
• Calculated formula: C14 H16 Cl2 N4 Re
• SMILES: [Re]12(Cl)(Cl)(Nc3ccccc3N1C)Nc1ccccc1N2C
• Title of publication: Unusual Reactivity of the {ReVO}3+ Core: Syntheses and Characterization of Novel Rhenium Halide Complexes with N-Methyl-o-diaminobenzene
• Authors of publication: Lihui Wei; John W. Babich; Jon Zubieta
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 6445 - 6454
• a: 8.5464 ± 0.0005 Å
• b: 16.6659 ± 0.001 Å
• c: 21.5108 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3063.9 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0903
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No