Information card for entry 7030759

Structure parameters

• Formula: C20 H30 B4 Br4 Co2
• Calculated formula: C20 H30 B4 Br4 Co2
• SMILES: [B]123(Br)[Co]456789([c]%10([c]4([c]5([c]6([c]7%10C)C)C)C)C)[B]42([B]21([B]38(Br)[Co]1356942[c]2([c]1([c]3([c]5([c]62C)C)C)C)C)Br)Br
• 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: 9.6049 ± 0.0002 Å
• b: 35.0685 ± 0.0009 Å
• c: 16.3289 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5500.1 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1381
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No