Information card for entry 4073990

Structure parameters

• Formula: C26 H46 O6 P2 Re2
• Calculated formula: C26 H46 O6 P2 Re2
• SMILES: [Re]1([H][Re]([P](C(C)(C)C)(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]
• 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: 21.1976 ± 0.001 Å
• b: 17.2257 ± 0.0008 Å
• c: 8.8901 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3246.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No