Information card for entry 7105016

Structure parameters

• Formula: C24 H28 B2 Cl4 Co2 F4 N12 O20
• Calculated formula: C31 H43.556 B2 Cl2 Co2 F4 N13 O17
• 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: 11.3016 ± 0.001 Å
• b: 12.7344 ± 0.0011 Å
• c: 19.14 ± 0.002 Å
• α: 103.927 ± 0.002°
• β: 94.988 ± 0.002°
• γ: 113.293 ± 0.001°
• Cell volume: 2403.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0796
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1602
• Weighted residual factors for all reflections included in the refinement: 0.1772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No