Information card for entry 7061756

Structure parameters

• Formula: C90 H84 Co3 N34 O13
• Calculated formula: C74 H46 Co3 N30 O8
• Title of publication: Slow magnetic relaxation and spin crossover behavior in two mixed-valence Co(ii)/Co(iii) complexes
• Authors of publication: Huang, You-Lin; Zhong, Yun-Jing; Ye, Hua-Jian; Li, You-Hong; Kuang, Xiao-Man; Ouyang, Zhi-Jian; Chen, Wen-Bin; Yang, Meng; Dong, Wen
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 37
• Pages of publication: 17720 - 17725
• a: 11.5085 ± 0.0004 Å
• b: 15.221 ± 0.0009 Å
• c: 28.579 ± 0.0006 Å
• α: 77.152 ± 0.003°
• β: 80.333 ± 0.003°
• γ: 73.05 ± 0.005°
• Cell volume: 4640.2 ± 0.4 ų
• Cell temperature: 297.99 ± 0.18 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1574
• Weighted residual factors for all reflections included in the refinement: 0.1656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No