Information card for entry 4076845

Structure parameters

• Formula: C32 H47 N2 O20 Sb W5
• Calculated formula: C32 H47 N2 O20 Sb W5
• SMILES: [Sb]12([W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])[W]3([O]4(C)[W]1([O]([W]4([O]31)(O)(=O)=O)(C)[W]12(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC
• Title of publication: Hybrid Metal Carbonyl−Oxide Clusters: Synthesis and Structure of [Et4N]2[(OC)5WSbW3(CO)9(μ3-OMe)2(μ3-O)WO2(OR)] (R = Me, H)
• Authors of publication: Xu, Li; Whitmire, Kenton H.
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 13
• Pages of publication: 2581
• a: 11.352 ± 0.002 Å
• b: 44.091 ± 0.009 Å
• c: 19.876 ± 0.004 Å
• α: 90°
• β: 104.11 ± 0.03°
• γ: 90°
• Cell volume: 9648 ± 3 ų
• Cell temperature: 570 ± 2 K
• Ambient diffraction temperature: 570 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1212
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.1664
• Weighted residual factors for all reflections included in the refinement: 0.1884
• Goodness-of-fit parameter for all reflections included in the refinement: 0.895
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No