Information card for entry 7010788

Structure parameters

• Formula: C30 H38 I2 N4 O P3 Re
• Calculated formula: C30 H38 I2 N4 O P3 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: 9.488 ± 0.002 Å
• b: 12.841 ± 0.002 Å
• c: 30.166 ± 0.004 Å
• α: 90°
• β: 101.66 ± 0.01°
• γ: 90°
• Cell volume: 3599.4 ± 1.1 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0723
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for all reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections: 1.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No