Information card for entry 4133216

Structure parameters

• Formula: C78 H73 Co3 N18 O6
• Calculated formula: C78 H82 Co3 N18 O6
• Title of publication: Sophisticated Construction of Electronically Labile Materials: A Neutral, Radical-Rich, Cobalt Valence Tautomeric Triangle.
• Authors of publication: Li, Bao; Wang, Xiao-Ning; Kirchon, Angelo; Qin, Jun-Sheng; Pang, Jian-Dong; Zhuang, Gui-Lin; Zhou, Hong-Cai
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 44
• Pages of publication: 14581 - 14585
• a: 12.846 ± 0.0009 Å
• b: 50.973 ± 0.004 Å
• c: 15.908 ± 0.0011 Å
• α: 90°
• β: 113.212 ± 0.002°
• γ: 90°
• Cell volume: 9573.4 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.1762
• Residual factor for significantly intense reflections: 0.1224
• Weighted residual factors for significantly intense reflections: 0.3259
• Weighted residual factors for all reflections included in the refinement: 0.356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.262
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No