Information card for entry 4323942

Structure parameters

• Formula: C36 H29 Cl N O2 P2 Re
• Calculated formula: C36 Cl N O2 P2 Re
• SMILES: [Re]12(Cl)([P](c3ccccc3N2)(c2ccccc2)c2ccccc2)([P](c2ccccc2O1)(c1ccccc1)c1ccccc1)=O
• Title of publication: Uncommon Anionic Dioxorhenium(V) and Neutral Monooxorhenium(V) Mixed-Ligand Complexes Containing Heterofunctionalized Phosphine Ligands: Syntheses and Structural Characterization
• Authors of publication: Cristina Bolzati; Francesco Tisato; Fiorenzo Refosco; Giuliano Bandoli; Alessandro Dolmella
• Journal of publication: Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 35
• Pages of publication: 6221 - 6229
• a: 10.199 ± 0.002 Å
• b: 14.147 ± 0.004 Å
• c: 21.772 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3141.4 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0467
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for all reflections: 0.3335
• Weighted residual factors for significantly intense reflections: 0.1039
• Goodness-of-fit parameter for all reflections: 0.832
• Goodness-of-fit parameter for significantly intense reflections: 0.858
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No