Information card for entry 4329883

Structure parameters

• Formula: C29 H30 B3 Co3 Mo2 O9 Te
• Calculated formula: C29 H30 B3 Co3 Mo2 O9 Te
• SMILES: [B]1234[B]56789[B]%10%111[Co]1%125(C#[O])(C#[O])[Co]5%136(C#[O])(C#[O])[Co]627(C#[O])(C#[O])(C(=O)[Mo]27%14%1538%10156([c]1([c]2([c]7([c]%14([c]%151C)C)C)C)C)[Te]%12%13)[Mo]123549%11([c]4([c]1([c]2([c]3([c]54C)C)C)C)C)(C#[O])C#[O]
• Title of publication: Novel Class of Heterometallic Cubane and Boride Clusters Containing Heavier Group 16 Elements
• Authors of publication: Arunabha Thakur; Soumik Sao; V. Ramkumar; Sundargopal Ghosh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 8322 - 8330
• a: 10.3465 ± 0.0007 Å
• b: 11.6799 ± 0.0007 Å
• c: 16.5804 ± 0.001 Å
• α: 74.313 ± 0.003°
• β: 76.11 ± 0.003°
• γ: 63.926 ± 0.003°
• Cell volume: 1715.61 ± 0.19 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0729
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No