Information card for entry 7105019

Structure parameters

• Formula: C18 H28 B2 Cl2 Co2 F4 N9 O7
• Calculated formula: C20 H22.4 B1.6 Cl1.6 Co1.6 F3.2 N10 O10.2
• 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: 36.625 ± 0.003 Å
• b: 10.9319 ± 0.0009 Å
• c: 20.09 ± 0.0016 Å
• α: 90°
• β: 94.135 ± 0.001°
• γ: 90°
• Cell volume: 8022.6 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1122
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.2116
• Weighted residual factors for all reflections included in the refinement: 0.2438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No