Information card for entry 4329884

Structure parameters

• Formula: C35 H32 B3 Cl2 Co6 Mo2 O14 Te
• Calculated formula: C35 H32 B3 Cl2 Co6 Mo2 O14 Te
• SMILES: [B]12345678[B]9%10%11[Co]%12%13%14%152([B]2%16%171[Co]1%18%19%204%13(C(=O)[Co]39%12%18(C#[O])(C#[O])[Co]3495%19(C1=O)(C(=O)[Mo]15%12%13%18%198%119([c]8([c]%13([c]%12([c]5([c]18C)C)C)C)C)[Co]162%204(C3=O)(C#[O])[Co]7%10%14%16%18(C#[O])([Mo]2345%15%17([c]6([c]5([c]4([c]3([c]26C)C)C)C)C)(C#[O])C#[O])[Te]%191)C#[O])C#[O])(C#[O])C#[O].C(Cl)Cl
• 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: 11.0344 ± 0.0004 Å
• b: 17.3088 ± 0.0007 Å
• c: 23.3171 ± 0.0009 Å
• α: 90°
• β: 91.414 ± 0.002°
• γ: 90°
• Cell volume: 4452 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.0453
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No