Information card for entry 4311670

Structure parameters

• Formula: C25 H23 Cl4 N2 O P Re
• Calculated formula: C25 H23 Cl4 N2 O P Re
• SMILES: [Re](Cl)(Cl)(Cl)(Cl)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)=Nc1c(NC)cccc1
• 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: 12.4511 ± 0.0009 Å
• b: 10.8309 ± 0.0008 Å
• c: 19.5721 ± 0.0015 Å
• α: 90°
• β: 95.142 ± 0.002°
• γ: 90°
• Cell volume: 2628.8 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0774
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No