Information card for entry 7702117

Structure parameters

• Formula: C16 H33 B18 Co2 N
• Calculated formula: C16 H33 B18 Co2 N
• Title of publication: Double deboronation and homometalation of 1,1'-bis(ortho-carborane).
• Authors of publication: Thiripuranathar, Gobika; Chan, Antony P. Y.; Mandal, Dipendu; Man, Wing Y.; Argentari, Mario; Rosair, Georgina M.; Welch, Alan J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 6
• Pages of publication: 1811 - 1821
• a: 8.9085 ± 0.0006 Å
• b: 13.5333 ± 0.001 Å
• c: 20.8343 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2511.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0987
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No