Information card for entry 7105013

Structure parameters

• Formula: C22 H25 B2 Cl Co2 F4 N11 O8
• Calculated formula: C22 H25 B2 Cl Co2 F4 N11 O8
• Title of publication: Redox rich dicobalt macrocycles as templates for multi-electron transformations.
• Authors of publication: Szymczak, Nathaniel K; Berben, Louise A; Peters, Jonas C
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal issue: 44
• Pages of publication: 6729 - 6731
• a: 20.2112 ± 0.0012 Å
• b: 13.9739 ± 0.0008 Å
• c: 12.7646 ± 0.0007 Å
• α: 90°
• β: 120.549 ± 0.001°
• γ: 90°
• Cell volume: 3104.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No