Information card for entry 4073991

Structure parameters

• Formula: C33 H65 O6 P3 Re2
• Calculated formula: C33 H65 O6 P3 Re2
• SMILES: [Re]1([H][Re]([P](C(C)(C)C)C(C)(C)C)([P](O1)(C(C)(C)C)C(C)(C)C)(C#[O])(C#[O])C#[O])([P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(C#[O])C#[O]
• Title of publication: Studies of Ligand Additions to Coordinatively Unsaturated Dirhenium Complexes Containing the Bulky PBut3Ligand
• Authors of publication: Adams, Richard D.; Captain, Burjor; Pellechia, Perry J.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 26
• Pages of publication: 6564
• a: 51.0915 ± 0.0017 Å
• b: 8.7205 ± 0.0003 Å
• c: 19.8896 ± 0.0007 Å
• α: 90°
• β: 97.067 ± 0.001°
• γ: 90°
• Cell volume: 8794.4 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0718
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No