Information card for entry 4082202

Structure parameters

• Formula: C44 H30 O8 P2 Re2
• Calculated formula: C44 H30 O8 P2 Re2
• SMILES: [Re](C#[O])(C#[O])(C#[O])(C#[O])([P](c1ccccc1)(c1ccccc1)c1ccccc1)[Re](C#[O])(C#[O])(C#[O])(C#[O])[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Studies of the Structures and Bonding of Gold-Bridged Dirhenium Carbonyl Cluster Complexes
• Authors of publication: Adams, Richard D.; Wong, Yuen Onn; Zhang, Qiang
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 24
• Pages of publication: 7540
• a: 13.8222 ± 0.0007 Å
• b: 26.6145 ± 0.0013 Å
• c: 11.1011 ± 0.0005 Å
• α: 90°
• β: 103.976 ± 0.001°
• γ: 90°
• Cell volume: 3962.9 ± 0.3 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: 0.0231
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.0472
• Weighted residual factors for all reflections included in the refinement: 0.0496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No