Information card for entry 4073994

Structure parameters

• Formula: C33 H51 N O6 P2 Re2
• Calculated formula: C33 H51 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]#Cc1ccccc1)(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: 11.8592 ± 0.0003 Å
• b: 11.2504 ± 0.0003 Å
• c: 14.1065 ± 0.0004 Å
• α: 90°
• β: 94.708 ± 0.001°
• γ: 90°
• Cell volume: 1875.75 ± 0.09 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0184
• Residual factor for significantly intense reflections: 0.0174
• Weighted residual factors for significantly intense reflections: 0.0387
• Weighted residual factors for all reflections included in the refinement: 0.0487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No