Information card for entry 4073988

Structure parameters

• Formula: C23 H38 O7 P2 Re2
• Calculated formula: C23 H38 O7 P2 Re2
• SMILES: [Re]1([H][Re]([PH](C(C)(C)C)C(C)(C)C)([P]1(C(C)(C)C)C(C)(C)C)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(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: 9.1219 ± 0.0002 Å
• b: 12.8748 ± 0.0003 Å
• c: 12.9356 ± 0.0003 Å
• α: 91.103 ± 0.001°
• β: 99.36 ± 0.001°
• γ: 95.35 ± 0.001°
• Cell volume: 1491.52 ± 0.06 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No