Information card for entry 4126215

Structure parameters

• Formula: C90 H124 Co2 N8 Na4 O26
• Calculated formula: C90 H124 Co2 N8 Na4 O26
• SMILES: [Co]123N4[C@H]5c6c7[O]81[Na]19([O]2c2c(C=[N]3c3c4cccc3)cccc2[O]1C)([O](c7ccc6)C)[O]12[Co]34N6[C@@H](c7c2c([O]([Na]281([O]3c1c(C=[N]4c3c6cccc3)cccc1[O]2C)OC5=O)C)ccc7)C(=O)O9.[Na]1234567[O]8CC[N]96CC[O]3CC[O]2CC[N]7(CC[O]1CC8)CC[O]5CC[O]4CC9.[Na]1234567[O]8CC[N]96CC[O]3CC[O]2CC[N]7(CC[O]1CC8)CC[O]5CC[O]4CC9.O1CCCC1.O1CCCC1.[Co]123N4[C@@H]5c6c7[O]81[Na]19([O]2c2c(C=[N]3c3c4cccc3)cccc2[O]1C)([O](c7ccc6)C)[O]12[Co]34N6[C@H](c7c2c([O]([Na]281([O]3c1c(C=[N]4c3c6cccc3)cccc1[O]2C)OC5=O)C)ccc7)C(=O)O9.[Na]1234567[O]8CC[N]96CC[O]3CC[O]2CC[N]7(CC[O]1CC8)CC[O]5CC[O]4CC9.[Na]1234567[O]8CC[N]96CC[O]3CC[O]2CC[N]7(CC[O]1CC8)CC[O]5CC[O]4CC9.O1CCCC1.O1CCCC1
• Title of publication: Ligand and Metal Based Multielectron Redox Chemistry of Cobalt Supported by Tetradentate Schiff Bases.
• Authors of publication: Andrez, Julie; Guidal, Valentin; Scopelliti, Rosario; Pécaut, Jacques; Gambarelli, Serge; Mazzanti, Marinella
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 25
• Pages of publication: 8628 - 8638
• a: 22.0036 ± 0.0013 Å
• b: 14.5281 ± 0.0006 Å
• c: 28.4397 ± 0.0014 Å
• α: 90°
• β: 94.568 ± 0.005°
• γ: 90°
• Cell volume: 9062.5 ± 0.8 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• 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: 0.2553
• Residual factor for significantly intense reflections: 0.0972
• Weighted residual factors for significantly intense reflections: 0.1908
• Weighted residual factors for all reflections included in the refinement: 0.2549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No