Information card for entry 7017557

Structure parameters

• Formula: C22 H15.5 Cu N8 O4.75
• Calculated formula: C22 H15.5 Cu N8 O4.75
• 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: 9.3128 ± 0.0004 Å
• b: 8.5744 ± 0.0003 Å
• c: 28.3561 ± 0.0013 Å
• α: 90°
• β: 97.046 ± 0.002°
• γ: 90°
• Cell volume: 2247.18 ± 0.16 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• 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: 0.0588
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1397
• Weighted residual factors for all reflections included in the refinement: 0.1477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No