Information card for entry 4109030

Structure parameters

• Formula: C21 H27 O9 P Re2
• Calculated formula: C21 H27 O9 P Re2
• SMILES: [Re]([Re]([P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Photoreversible Multiple Additions of Hydrogen to a Highly Unsaturated Platinum-Rhenium Cluster Complex
• Authors of publication: Richard D. Adams; Burjor Captain; Chad Beddie; Michael B. Hall
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 986 - 1000
• a: 11.777 ± 0.0011 Å
• b: 14.9566 ± 0.0015 Å
• c: 45.768 ± 0.005 Å
• α: 90°
• β: 92.098 ± 0.002°
• γ: 90°
• Cell volume: 8056.3 ± 1.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No