Information card for entry 7010785

Structure parameters

• Formula: C15.6 H32.8 Cl3.8 N4 O0.8 P2 Re
• Calculated formula: C12 H25 Cl3 N4 P2 Re
• Title of publication: Neutral and cationic biimidazoledihalogenobis(trimethylphosphine)rhenium(iii) complexes: ion-pairing, acid‒base and redox propertiesElectronic supplementary information (ESI) available: details of the structure determination and refinement for compounds 4, 5, 7 and 9·OPPh3. See http://www.rsc.org/suppdata/dt/b1/b103719f/
• Authors of publication: Fortin, Sébastien; Fabre, Paul-Louis; Dartiguenave, Michèle; Beauchamp, André L.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 23
• Pages of publication: 3520
• a: 20.566 ± 0.007 Å
• b: 20.566 Å
• c: 12.563 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5314 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for all reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections: 0.937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No