Information card for entry 7001225

Structure parameters

• Formula: C40 H40 Cl8 O3 P2 Re2
• Calculated formula: C40 H40 Cl8 O3 P2 Re2
• SMILES: [Re](O[Re](=O)(Cl)(Cl)(Cl)Cl)(=O)(Cl)(Cl)(Cl)Cl.[P+](CC)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](CC)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Remarkably stable dinuclear, diamagnetic rhenium(VI) salts with the [ReOCl4OReOCl4]2− anion
• Authors of publication: Hołyńska, Małgorzata; Lis, Tadeusz
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 19
• Pages of publication: 3840 - 3846
• a: 16.762 ± 0.005 Å
• b: 14.459 ± 0.004 Å
• c: 18.389 ± 0.006 Å
• α: 90°
• β: 93.19 ± 0.03°
• γ: 90°
• Cell volume: 4450 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1147
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0472
• Weighted residual factors for all reflections included in the refinement: 0.0549
• Goodness-of-fit parameter for all reflections included in the refinement: 0.827
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No