Information card for entry 4311674

Structure parameters

• Formula: C26 H25 Br3 Cl2 N2 P Re
• Calculated formula: C26 H25 Br3 Cl2 N2 P Re
• SMILES: [Re]1(Br)(Br)(Br)(N(c2ccccc2N1)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl
• 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: 16.2579 ± 0.001 Å
• b: 10.2434 ± 0.0007 Å
• c: 18.21 ± 0.0012 Å
• α: 90°
• β: 113.925 ± 0.001°
• γ: 90°
• Cell volume: 2772.1 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No