Information card for entry 4311673

Structure parameters

• Formula: C43 H38 Br2 Cl N2 P2 Re
• Calculated formula: C43 H38 Br2 Cl N2 P2 Re
• SMILES: [Re](Br)(Br)(Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)=Nc1ccccc1NC
• 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: 10.648 ± 0.004 Å
• b: 12.033 ± 0.004 Å
• c: 15.184 ± 0.005 Å
• α: 93.256 ± 0.007°
• β: 92.112 ± 0.007°
• γ: 95.955 ± 0.007°
• Cell volume: 1930.1 ± 1.2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.097
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1476
• Weighted residual factors for all reflections included in the refinement: 0.1685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No