Information card for entry 7034904

Structure parameters

• Formula: C46 H53 B2 Co F4 N7 Na O12
• Calculated formula: C46 H53 B2 Co F4 N7 Na O12
• Title of publication: Structural and electronic characterization of multi-electron reduced naphthalene (BIAN) cobaloximes.
• Authors of publication: Williams, Owen M.; Cowley, Alan H.; Rose, Michael J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 29
• Pages of publication: 13017 - 13029
• a: 12.229 ± 0.0001 Å
• b: 15.5856 ± 0.0002 Å
• c: 13.2069 ± 0.0001 Å
• α: 90°
• β: 98.838 ± 0.001°
• γ: 90°
• Cell volume: 2487.3 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No