Information card for entry 4300070

Structure parameters

• Formula: C71 H46 Hg2 O22 P2 Re6
• Calculated formula: C71 H46 Hg2 O22 P2 Re6
• SMILES: [C]12345[Re]67(C#[O])(C#[O])([Hg]89(OC(=[O]8)C)[Re]81(C#[O])(C#[O])(C#[O])[Re]12(C#[O])(C#[O])(C#[O])[Hg]2(OC(=[O]2)C)([Re]36(C#[O])(C#[O])(C#[O])[Re]491(C#[O])(C#[O])C#[O])[Re]578(C#[O])(C#[O])C#[O])C#[O].[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Carbidohexarhenate Cluster Cores Bicapped by Mercury with Acetate or Thiolate Ligands
• Authors of publication: Udo Brand; John R. Shapley
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 32 - 36
• a: 12.4969 ± 0.0003 Å
• b: 12.8877 ± 0.0003 Å
• c: 13.407 ± 0.0003 Å
• α: 113.297 ± 0.001°
• β: 92.406 ± 0.001°
• γ: 110.78 ± 0.001°
• Cell volume: 1811.96 ± 0.08 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for all reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.0735
• Goodness-of-fit parameter for all reflections: 1.021
• Goodness-of-fit parameter for significantly intense reflections: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No