Information card for entry 7114990

Structure parameters

• Formula: C56 H49 Cl3 Co4 N11 O27
• Calculated formula: C56 H40 Cl3 Co4 N11 O27
• SMILES: [Co]1234567([Co]89%10%11%12([Co]%13%14%15%161([Co]128([O]3%13)([O]9%14)([O]5%11)([O]=C(O%15)c2ccc(N(=O)=O)cc2)[n]2ccccc2c2[n]1cccc2)([O]4%10)[n]1ccccc1c1[n]%16cccc1)([O]=C(O6)c1ccc(N(=O)=O)cc1)[n]1ccccc1c1[n]%12cccc1)[n]1ccccc1c1[n]7cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O.O.N#CC
• Title of publication: Mixed-valence, tetranuclear cobalt(iii,iv) complexes: preparation and properties of [Co4O4(O2CR)2(bpy)4]3+ salts
• Authors of publication: Dimitrou, Katerina; Brown, Angelica D.; Christou, George; Concolino, Thomas E.; Rheingold, Arnold L.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 14
• Pages of publication: 1284
• a: 11.633 ± 0.0002 Å
• b: 14.1304 ± 0.0002 Å
• c: 20.7165 ± 0.0002 Å
• α: 91.8195 ± 0.0006°
• β: 95.845 ± 0.0008°
• γ: 110.12 ± 0.0004°
• Cell volume: 3172.77 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0846
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.2089
• Weighted residual factors for all reflections included in the refinement: 0.2279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.75
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No