Information card for entry 7042365

Structure parameters

• Formula: C61.5 H48.5 B Co F4 N14.5 O
• Calculated formula: C61.5 H48.5 B Co F4 N14.5 O
• SMILES: O=CN(C)C.O.c1ccccc1Cn1n[n]2c(c1)c1cccc3c1n1c4c3cccc4c3cn(n[n]3[Co]3421[n]1nn(Cc2ccccc2)cc1c1cccc2c1n3c1c2cccc1c1cn(n[n]41)Cc1ccccc1)Cc1ccccc1.[B](F)(F)(F)[F-]
• 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: 17.3437 ± 0.0003 Å
• b: 24.7996 ± 0.0004 Å
• c: 26.5881 ± 0.0005 Å
• α: 90°
• β: 107.976 ± 0.002°
• γ: 90°
• Cell volume: 10877.8 ± 0.4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections: 0.1517
• Weighted residual factors for significantly intense reflections: 0.1409
• Weighted residual factors for all reflections included in the refinement: 0.1516
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9564
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No