Information card for entry 7017556

Structure parameters

• Formula: C17 H23 Cl2 Mn N5 O2
• Calculated formula: C17 H23 Cl2 Mn N5 O2
• 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: 7.9477 ± 0.0008 Å
• b: 18.03 ± 0.002 Å
• c: 14.8985 ± 0.0018 Å
• α: 90°
• β: 99.695 ± 0.006°
• γ: 90°
• Cell volume: 2104.4 ± 0.4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• 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: 0.1156
• Residual factor for significantly intense reflections: 0.0972
• Weighted residual factors for significantly intense reflections: 0.1974
• Weighted residual factors for all reflections included in the refinement: 0.204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.278
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No