Information card for entry 4126325

Structure parameters

• Formula: C102 H130 Co3 N6 Na6 O18
• Calculated formula: C102 H130 Co3 N6 Na6 O18
• SMILES: [Co]123[N]4c5c([N]63=Cc3c7[O]81[Na]19([O]%102[Na]8([O]29CCCC2)[N]28[Co]9%11[O]%12%13[Na]%14%15([O](c%16c%12c(ccc%16)[C@H]([N]9(c9ccccc89)[Na]89[O]%12%16[Co]%17%18[N]%19c%20c([N]%15%18=Cc%15c%16c([O]([Na]%16%12([O]8%17c8c([C@H]%19[C@@H]2c2c%12[O]%11%14[Na]6%13([O](c%12ccc2)C)[O]2CCCC2)cccc8[O]%16C)([O]2CCCC2)[O]29CCCC2)C)ccc%15)cccc%20)[C@@H]4c2cccc([O]1C)c%102)C)[O]1CCCC1)([O](c7ccc3)C)[O]1CCCC1)cccc5.CCCCCC.CCCCCC.[Co]123[N]4c5c([N]63=Cc3c7[O]81[Na]19([O]%102[Na]8([O]29CCCC2)[N]28[Co]9%11[O]%12%13[Na]%14%15([O](c%16c%12c(ccc%16)[C@@H]([N]9(c9ccccc89)[Na]89[O]%12%16[Co]%17%18[N]%19c%20c([N]%15%18=Cc%15c%16c([O]([Na]%16%12([O]8%17c8c([C@@H]%19[C@H]2c2c%12[O]%11%14[Na]6%13([O](c%12ccc2)C)[O]2CCCC2)cccc8[O]%16C)([O]2CCCC2)[O]29CCCC2)C)ccc%15)cccc%20)[C@H]4c2cccc([O]1C)c%102)C)[O]1CCCC1)([O](c7ccc3)C)[O]1CCCC1)cccc5.CCCCCC.CCCCCC
• 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: 18.508 ± 0.003 Å
• b: 29.695 ± 0.005 Å
• c: 18.979 ± 0.004 Å
• α: 90°
• β: 100.017 ± 0.015°
• γ: 90°
• Cell volume: 10272 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1759
• Residual factor for significantly intense reflections: 0.0852
• Weighted residual factors for significantly intense reflections: 0.1666
• Weighted residual factors for all reflections included in the refinement: 0.2108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No