Information card for entry 2003686

Structure parameters

• Chemical name: chlorotris(dimethylphenylphosphine)nitrido(trifluoromethanesulfonato)rhenium(V)
• Formula: C25 H33 Cl F3 N O3 P3 Re S
• Calculated formula: C25 H33 Cl F3 N O3 P3 Re S
• SMILES: [Re](Cl)([P](c1ccccc1)(C)C)([P](c1ccccc1)(C)C)([P](c1ccccc1)(C)C)(#N)OS(=O)(=O)C(F)(F)F
• Title of publication: <i>mer</i>,<i>cis</i>-Chlorotris(dimethylphenylphosphine)nitrido(trifluoromethylsulfonato)rhenium(V)
• Authors of publication: Abram, U.; Walker, I.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 7
• Pages of publication: 1250 - 1251
• a: 17.589 ± 0.003 Å
• b: 10.164 ± 0.001 Å
• c: 16.807 ± 0.004 Å
• α: 90°
• β: 84.16 ± 0.01°
• γ: 90°
• Cell volume: 2989.1 ± 0.9 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 9
• 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: 0.0829
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for all reflections: 0.1469
• Weighted residual factors for significantly intense reflections: 0.1201
• Goodness-of-fit parameter for all reflections: 1.097
• Goodness-of-fit parameter for significantly intense reflections: 1.046
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No