Information card for entry 7042364

Structure parameters

• Formula: C98 H123 B Co F4 N14 O1.5
• Calculated formula: C98 H123 B Co F4 N14 O1.5
• Title of publication: Tuneable reversible redox of cobalt(iii) carbazole complexes.
• Authors of publication: Bennington, Michael S.; Feltham, Humphrey L. C.; Buxton, Zoë J; White, Nicholas G.; Brooker, Sally
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 14
• Pages of publication: 4696 - 4710
• a: 16.6488 ± 0.0004 Å
• b: 20.3208 ± 0.0006 Å
• c: 28.7288 ± 0.0011 Å
• α: 90°
• β: 94.014 ± 0.003°
• γ: 90°
• Cell volume: 9695.6 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1029
• Residual factor for significantly intense reflections: 0.087
• Weighted residual factors for all reflections: 0.2234
• Weighted residual factors for significantly intense reflections: 0.2103
• Weighted residual factors for all reflections included in the refinement: 0.2233
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9664
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No