Information card for entry 4335451

Structure parameters

• Formula: C26 H33 B3 Co2 Mo2 O6 S
• Calculated formula: C26 H33 B3 Co2 Mo2 O6 S
• SMILES: [BH]123[BH]45[BH]61[Co]1789%104(C(=O)[Mo]4%11%12%13%14%15269([c]2([c]4([c]%11([c]%12([c]%132C)C)C)C)C)[Co]28(C7=O)(C#[O])(C#[O])[Mo]467835%10%14([c]3([c]8([c]7([c]6([c]43C)C)C)C)C)(C1=O)[S]%152)C#[O]
• Title of publication: Hypoelectronic Dimetallaheteroboranes of Group 6 Transition Metals Containing Heavier Chalcogen Elements
• Authors of publication: Kiran Kumarvarma Chakrahari; Arunabha Thakur; Bijan Mondal; V. Ramkumar; Sundargopal Ghosh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 7923 - 7932
• a: 15.8054 ± 0.0006 Å
• b: 12.0035 ± 0.0003 Å
• c: 15.7935 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2996.34 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0192
• Residual factor for significantly intense reflections: 0.0176
• Weighted residual factors for significantly intense reflections: 0.0398
• Weighted residual factors for all reflections included in the refinement: 0.0407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No