Information card for entry 4329882

Structure parameters

• Formula: C23 H30 B4 Fe Mo2 O3 Te
• Calculated formula: C23 H30 B4 Fe Mo2 O3 Te
• SMILES: [B]123[B]45[B]671[B]1[Mo]89%10%11%12%1336([c]3([c]8([c]9([c]%10([c]%113C)C)C)C)C)[Fe]324(C#[O])(C#[O])(C#[O])[Mo]2468571%12([c]1([c]2([c]4([c]6([c]81C)C)C)C)C)[Te]%133
• 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: 8.5599 ± 0.0005 Å
• b: 15.6973 ± 0.001 Å
• c: 20.8469 ± 0.0011 Å
• α: 90°
• β: 90.292 ± 0.002°
• γ: 90°
• Cell volume: 2801.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0837
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.2021
• Weighted residual factors for all reflections included in the refinement: 0.211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No