Information card for entry 7017555

Structure parameters

• Formula: C22 H14 B Co F4 N8 O4
• Calculated formula: C22 H14 B Co F4 N8 O4
• Title of publication: Nine non-symmetric pyrazine-pyridine imide-based complexes: reversible redox and isolation of [M(II/III)(pypzca)(2)](0/+) when M = Co, Fe.
• Authors of publication: Cowan, Matthew G.; Brooker, Sally
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 5
• Pages of publication: 1465 - 1474
• a: 22.953 ± 0.007 Å
• b: 8.54 ± 0.003 Å
• c: 23.055 ± 0.007 Å
• α: 90°
• β: 103 ± 0.009°
• γ: 90°
• Cell volume: 4403 ± 2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 88 ± 2 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: 0.1973
• Residual factor for significantly intense reflections: 0.1346
• Weighted residual factors for significantly intense reflections: 0.3395
• Weighted residual factors for all reflections included in the refinement: 0.373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No