Information card for entry 2006087

Structure parameters

• Chemical name: μ-hydrido-μ-dicyclohexylphosphido-bis(dicyclohexylphosphine-tricarbonyl- rhenium)
• Formula: C42 H69 O6 P3 Re2
• Calculated formula: C42 H69 O6 P3 Re2
• SMILES: C(#[O])[Re]1(C#[O])(C#[O])([H][Re]([P]1(C1CCCCC1)C1CCCCC1)(C#[O])(C#[O])(C#[O])[PH](C1CCCCC1)C1CCCCC1)[PH](C1CCCCC1)C1CCCCC1
• Title of publication: μ-Hydrido-μ-dicyclohexylphosphido-bis[dicyclohexylphosphine(tricarbonyl)rhenium]
• Authors of publication: Flörke, U.; Haupt, H.-J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 4
• Pages of publication: 404 - 406
• a: 17.491 ± 0.004 Å
• b: 14.236 ± 0.003 Å
• c: 18.656 ± 0.004 Å
• α: 90°
• β: 100.24 ± 0.02°
• γ: 90°
• Cell volume: 4571.4 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0784
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for all reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.0575
• Goodness-of-fit parameter for all reflections: 0.944
• Goodness-of-fit parameter for significantly intense reflections: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No