Information card for entry 4323939

Structure parameters

• Formula: C34 H50 Cl3 N O2 P Re
• Calculated formula: C34 Cl3 N O2 P Re
• SMILES: [Re]1(Cl)(Cl)(Cl)([P](c2ccccc2O1)(c1ccccc1)c1ccccc1)=O.[N+](CCCC)(CCCC)(CCCC)CCCC
• 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: 10.84 ± 0.003 Å
• b: 22.167 ± 0.006 Å
• c: 15.21 ± 0.004 Å
• α: 90°
• β: 95.91 ± 0.02°
• γ: 90°
• Cell volume: 3635.4 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.074
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections: 0.248
• Weighted residual factors for significantly intense reflections: 0.1295
• Goodness-of-fit parameter for all reflections: 0.895
• Goodness-of-fit parameter for significantly intense reflections: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No