Information card for entry 1517758

Structure parameters

• Formula: C28 H26 Cl2 N2 O2 P Re
• Calculated formula: C28 H26 Cl2 N2 O2 P Re
• SMILES: [Re]1(=O)(OC(n2[n]1cc1ccccc21)(C)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)Cl
• Title of publication: Synthesis, spectroscopic characterization and X-ray crystal structures of mononuclear and binuclear oxidorhenium(V) complexes containing indazolyl moieties
• Authors of publication: B. Machura; M. Wolff; J. Palion; E. Benoist
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 404
• Pages of publication: 144 - 154
• a: 7.7185 ± 0.0004 Å
• b: 8.1845 ± 0.0004 Å
• c: 43.553 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2751.3 ± 0.3 ų
• Cell temperature: 295 ± 0.2 K
• Ambient diffraction temperature: 295 ± 0.2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No