Information card for entry 4303289

Structure parameters

• Formula: C48 H30 Bi3 O12 Re3
• Calculated formula: C48 H30 Bi3 O12 Re3
• SMILES: [Re]1([Bi]([Re]([Bi]([Re]([Bi]1(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[O])(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[O])(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Rhenium-Bismuth Carbonyl Cluster Compounds
• Authors of publication: Richard D. Adams; William C. Pearl
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 9519 - 9525
• a: 11.9528 ± 0.0005 Å
• b: 14.1317 ± 0.0005 Å
• c: 15.0482 ± 0.0006 Å
• α: 90°
• β: 95.07 ± 0.001°
• γ: 90°
• Cell volume: 2531.9 ± 0.17 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No