Information card for entry 7030757

Structure parameters

• Formula: C26 H34 B2 Co2 I Mo2 O6
• Calculated formula: C26 H35 B2 Co2 I Mo2 O6
• SMILES: C(#[O])[Mo]123456(C#[O])(C#[O])[BH]789[BH]%10%11%12[Co]%13%14%15%1617([c]1([c]%16([c]%15([c]%14([c]%131C)C)C)C)C)([Mo]13%11%13(C#[O])(C#[O])(C#[O])([Co]37%11%1428%10([c]2([c]3([c]7([c]%11([c]%142C)C)C)C)C)([H]59)[H]%121)[I]4)[H]6%13
• Title of publication: Synthesis, characterization and crystal structure analysis of cobaltaborane and cobaltaheteroborane clusters.
• Authors of publication: Sharmila, Dudekula; Ramalakshmi, Rongala; Chakrahari, Kiran Kumarvarma; Varghese, Babu; Ghosh, Sundargopal
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 26
• Pages of publication: 9976 - 9985
• a: 9.3527 ± 0.0002 Å
• b: 17.1264 ± 0.0003 Å
• c: 20.033 ± 0.0003 Å
• α: 90°
• β: 92.06 ± 0.002°
• γ: 90°
• Cell volume: 3206.77 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.038
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No