Information card for entry 4319124

Structure parameters

• Formula: C44 H41 Cl6 N4 O P2 Re
• Calculated formula: C44 H41 Cl6 N4 O P2 Re
• SMILES: [Re]1(Cl)(Cl)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[n]2c([nH]cc2)c2[nH]cc[n]12.[Cl-].ClC(Cl)Cl.OC
• Title of publication: Preparations, Characterizations, and Structures of (Biimidazole)dihalobis(triphenylphosphine)rhenium(III) Salts: Strong Ion-Pairing and Acid-Base Properties
• Authors of publication: Sébastien Fortin; André L. Beauchamp
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 105 - 112
• a: 10.41 ± 0.002 Å
• b: 12.151 ± 0.002 Å
• c: 18.898 ± 0.005 Å
• α: 82.277 ± 0.014°
• β: 76.19 ± 0.02°
• γ: 82.23 ± 0.013°
• Cell volume: 2287 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for all reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections: 1.043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No