Information card for entry 7105014

Structure parameters

• Formula: C28 H46 B2 Br4 Co2 F4 N12 O8
• Calculated formula: C28 H44 B2 Br4 Co2 F4 N12 O8
• SMILES: [B]1(F)(F)O[N]2=C(c3ccc4C(C)=[N]5O[B](F)(F)O[N]6=C(c7ccc8C(=[N](O1)[Co]12([n]3[n]4[Co]56([n]7[n]81)(Br)Br)(Br)Br)C)C)C.CN(C)C=O.N(C)(C)C=O.CN(C)C=O.N(C)(C)C=O
• 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: 9.9295 ± 0.0007 Å
• b: 11.0421 ± 0.0007 Å
• c: 11.0924 ± 0.0007 Å
• α: 110.238 ± 0.001°
• β: 99.67 ± 0.001°
• γ: 102.19 ± 0.001°
• Cell volume: 1076.18 ± 0.12 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: 0.0572
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No