Information card for entry 4319126

Structure parameters

• Formula: C44.5 H38.5 Cl7.5 I3 N4 P2 Re
• Calculated formula: C44.5 H38.5 Cl7.5 I3 N4 P2 Re
• 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: 10.479 ± 0.004 Å
• b: 25.791 ± 0.013 Å
• c: 20.335 ± 0.008 Å
• α: 90°
• β: 108.45 ± 0.04°
• γ: 90°
• Cell volume: 5213 ± 4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• 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: 0.1442
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections: 0.698
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No