Information card for entry 4315121

Structure parameters

• Formula: C24 H16 Cl2 N6 O2 Re
• Calculated formula: C24 H16 Cl2 N6 O2 Re
• SMILES: [Re]12([n]3c(N=[N]1c1ccc(cc1)Cl)cccc3)(C#[O])([n]1c(N=[N]2c2ccc(cc2)Cl)cccc1)C#[O]
• Title of publication: Redox Induced Electron Transfer in Doublet Azo-Anion Diradical Rhenium(II) Complexes. Characterization of Complete Electron Transfer Series
• Authors of publication: Nandadulal Paul; Subhas Samanta; Sreebrata Goswami
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 2649 - 2655
• a: 25.248 ± 0.002 Å
• b: 11.6185 ± 0.0009 Å
• c: 19.4847 ± 0.0016 Å
• α: 90°
• β: 120.659 ± 0.002°
• γ: 90°
• Cell volume: 4916.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No