Information card for entry 7032963

Structure parameters

• Formula: C26 H40 B6 Co2 Fe2 O6
• Calculated formula: C26 H40 B6 Co2 Fe2 O6
• SMILES: C(#[O])[Fe]123(C#[O])(C#[O])[Fe]456(C#[O])(C#[O])(C#[O])[BH]781([Co]19%10%11%12%13%14([c]%15([c]%11([c]%10([c]9([c]1%15C)C)C)C)C)[BH]198[Co]8%10%11%15%16%17([c]%18([c]8([c]%10([c]%11([c]%15%18C)C)C)C)C)([BH]2471([H]5)[H]3)[BH]1%129[BH]2%16([BH]%131([H]%14)[H]2)[H]%17)[H]6
• Title of publication: Chemistry of group 9 dimetallaborane analogues of octaborane(12).
• Authors of publication: Barik, Subrat Kumar; Roy, Dipak Kumar; Ghosh, Sundargopal
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 2
• Pages of publication: 669 - 676
• a: 8.7762 ± 0.0002 Å
• b: 18.3446 ± 0.0005 Å
• c: 20.7153 ± 0.0006 Å
• α: 90°
• β: 93.051 ± 0.002°
• γ: 90°
• Cell volume: 3330.35 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0429
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No