Information card for entry 2200369

Structure parameters

• Chemical name: tetraphenylphosphonium μ-bromo-bromoheptacarbonyl-μ-dicyclohexylphosphido-dirhenate
• Formula: C43 H42 Br2 O7 P2 Re2
• Calculated formula: C43 H42 Br2 O7 P2 Re2
• SMILES: [Re]1(Br)([P]([Re]([Br]1)(C#[O])(C#[O])(C#[O])C#[O])(C1CCCCC1)C1CCCCC1)(C#[O])(C#[O])C#[O].[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: The first example of a bromo- and phosphido-bridged binuclear rhenium carbonyl complex
• Authors of publication: Petters, Dina; Flörke, Ulrich
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 6
• Pages of publication: m244 - m245
• a: 18.795 ± 0.002 Å
• b: 13.32 ± 0.001 Å
• c: 19.579 ± 0.002 Å
• α: 90°
• β: 114.42 ± 0.01°
• γ: 90°
• Cell volume: 4463.1 ± 0.8 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections: 0.96
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes