Information card for entry 7001224

Structure parameters

• Formula: C38 H36 Cl8 O3 P2 Re2
• Calculated formula: C38 H36 Cl8 O3 P2 Re2
• SMILES: [P+](C)(c1ccccc1)(c1ccccc1)c1ccccc1.O=[Re](Cl)(Cl)(Cl)(O[Re](=O)(Cl)(Cl)(Cl)Cl)Cl.[P+](C)(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: 12.379 ± 0.004 Å
• b: 13.823 ± 0.004 Å
• c: 12.629 ± 0.004 Å
• α: 90°
• β: 91.19 ± 0.03°
• γ: 90°
• Cell volume: 2160.5 ± 1.2 ų
• Cell temperature: 230 ± 2 K
• Ambient diffraction temperature: 230 ± 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: 0.1193
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.0618
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No