Information card for entry 7030756

Structure parameters

• Formula: C32 H51 B6 Co4 O2
• Calculated formula: C32 H51 B6 Co4 O2
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Co]16782345[BH]23[BH]451[BH]19%10[BH]%11%12[Co]%13%14%15%16%17%189([c]9([c]%13([c]%14([c]%15([c]%169C)C)C)C)C)[BH]641[BH]7%17[Co]83%12%18(C#[O])(C#[O])[Co]134625%10%11[c]2([c]1([c]3([c]4([c]62C)C)C)C)C)C)C)C)C
• 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: 19.9069 ± 0.0009 Å
• b: 11.4558 ± 0.0004 Å
• c: 16.9951 ± 0.0009 Å
• α: 90°
• β: 115.311 ± 0.006°
• γ: 90°
• Cell volume: 3503.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1467
• Weighted residual factors for all reflections included in the refinement: 0.1487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No