Information card for entry 7010786

Structure parameters

• Formula: C16.4 H35 Br3 N4 O1.1 P2 Re
• Calculated formula: C12 H24 Br3 N4 P2 Re
• SMILES: [Re]1(Br)(Br)([P](C)(C)C)([P](C)(C)C)[n]2cc[nH]c2c2[nH]cc[n]12.[Br-]
• Title of publication: Neutral and cationic biimidazoledihalogenobis(trimethylphosphine)rhenium(iii) complexes: ion-pairing, acid‒base and redox properties
• 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: 12.952 ± 0.01 Å
• b: 15.892 ± 0.009 Å
• c: 15.898 ± 0.01 Å
• α: 82.36 ± 0.05°
• β: 69.27 ± 0.06°
• γ: 68.09 ± 0.06°
• Cell volume: 2839 ± 4 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: 0.0489
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for all reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections: 1.062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No