Information card for entry 7061755

Structure parameters

• Formula: C90 H84 Co3 N34 O13
• Calculated formula: C74 H46 Co3 N30 O8
• SMILES: [Co]1234([n]5ccccc5c5[n]1c(ccc5)c1[n]2cccc1)[n]1ccccc1c1[n]3c(ccc1)c1[n]4cccc1.[Co]1234(Oc5c([N]2=Nc2n1nnn2)c1c(cc5)ccc(O)c1)Oc1c([N]4=Nc2n3nnn2)c2c(cc1)ccc(O)c2.[Co]1234(Oc5c([N]2=Nc2n1nnn2)c1c(cc5)ccc(O)c1)Oc1c([N]4=Nc2n3nnn2)c2c(cc1)ccc(O)c2
• 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: 11.5395 ± 0.0001 Å
• b: 15.2192 ± 0.0001 Å
• c: 28.7586 ± 0.0002 Å
• α: 77.03 ± 0.001°
• β: 80.591 ± 0.001°
• γ: 72.951 ± 0.001°
• Cell volume: 4679.56 ± 0.07 ų
• Cell temperature: 373 ± 0.3 K
• Ambient diffraction temperature: 373 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: 0.0516
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1438
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No