Information card for entry 7105017

Structure parameters

• Formula: C44 H36 B4 Co2 F12 N14 O4
• Calculated formula: C48 H42 B4 Co2 F12 N14 O4
• 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: 17.2357 ± 0.0012 Å
• b: 24.1048 ± 0.0017 Å
• c: 13.447 ± 0.001 Å
• α: 90°
• β: 97.81 ± 0.001°
• γ: 90°
• Cell volume: 5534.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0692
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No