Information card for entry 4073993

Structure parameters

• Formula: C28 H49 N O6 P2 Re2
• Calculated formula: C28 H49 N 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])([N]#CC)(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: 11.0279 ± 0.0004 Å
• b: 29.6026 ± 0.001 Å
• c: 10.7886 ± 0.0003 Å
• α: 90°
• β: 105.577 ± 0.001°
• γ: 90°
• Cell volume: 3392.63 ± 0.19 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0288
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.0618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No