Information card for entry 7034903

Structure parameters

• Formula: C32 H24 B2 Co F4 N8 O4
• Calculated formula: C32 H24 B2 Co F4 N8 O4
• 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: 8.9648 ± 0.0003 Å
• b: 18.838 ± 0.0006 Å
• c: 9.4411 ± 0.0003 Å
• α: 90°
• β: 99.349 ± 0.001°
• γ: 90°
• Cell volume: 1573.22 ± 0.09 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.202
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No