Information card for entry 7010787

Structure parameters

• Formula: C12 H23 Cl2 N4 P2 Re
• Calculated formula: C12 H23 Cl2 N4 P2 Re
• SMILES: [Re]1(Cl)(Cl)([P](C)(C)C)([n]2c([nH]cc2)c2nccn12)[P](C)(C)C
• 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: 12.048 ± 0.005 Å
• b: 9.15 ± 0.003 Å
• c: 18.308 ± 0.005 Å
• α: 90°
• β: 91.54 ± 0.03°
• γ: 90°
• Cell volume: 2017.5 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0765
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections: 0.1524
• Weighted residual factors for all reflections included in the refinement: 0.1444
• Goodness-of-fit parameter for all reflections: 0.902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No