Information card for entry 4077455

Structure parameters

• Formula: C39 H50 Bi Cl Mo2 O6
• Calculated formula: C39 H50 Bi Cl Mo2 O6
• SMILES: [Bi]([Mo]1234(C#[O])(C#[O])(C#[O])[cH]5[c]1([cH]2[cH]3[c]45C(C)(C)C)C(C)(C)C)([Mo]1234(C#[O])(C#[O])(C#[O])[cH]5[c]1([cH]2[cH]3[c]45C(C)(C)C)C(C)(C)C)Cl.Cc1ccccc1
• Title of publication: Transition-Metal-Substituted Dichlorobismuthanes as Starting Materials for Novel Bismuth−Transition-Metal Clusters†
• Authors of publication: Gröer, Thomas; Scheer, Manfred
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 18
• Pages of publication: 3683
• a: 9.968 ± 0.002 Å
• b: 15.862 ± 0.003 Å
• c: 26.481 ± 0.005 Å
• α: 90°
• β: 90.56 ± 0.03°
• γ: 90°
• Cell volume: 4186.8 ± 1.4 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 6
• 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: 0.0762
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1549
• Weighted residual factors for all reflections included in the refinement: 0.1612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No