Information card for entry 7030758

Structure parameters

• Formula: C20 H32 B2 Co2 S2
• Calculated formula: C20 H32 B2 Co2 S2
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Co]1672345[BH]23[BH]41[S]7[Co]157834([c]3([c]1([c]5([c]7([c]83C)C)C)C)C)[S]62)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: 28.0135 ± 0.0016 Å
• b: 8.5928 ± 0.0003 Å
• c: 19.9723 ± 0.0012 Å
• α: 90°
• β: 114.615 ± 0.004°
• γ: 90°
• Cell volume: 4370.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No