Information card for entry 7033442

Structure parameters

• Formula: C200 H156 B8 Co8 F32 N100 O32
• Calculated formula: C25 H19.5 B Co F4 N12.5 O4
• Title of publication: Pyrazine-imide complexes: reversible redox and MOF building blocks.
• Authors of publication: Cowan, Matthew G.; Miller, Reece G.; Brooker, Sally
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 6
• Pages of publication: 2880 - 2892
• a: 12.4666 ± 0.0016 Å
• b: 29.676 ± 0.004 Å
• c: 16.9354 ± 0.001 Å
• α: 90°
• β: 103.218 ± 0.002°
• γ: 90°
• Cell volume: 6099.4 ± 1.2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 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: 0.0939
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1802
• Weighted residual factors for all reflections included in the refinement: 0.204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No