Information card for entry 7710288

Structure parameters

• Formula: C37 H53 Co2 N12 O6
• Calculated formula: C37 H53 Co2 N12 O6
• SMILES: [Co]123(N4CCCN1C(=O)c1n3[n]([Co]([n]3n2c(C4=O)cc3C)([n]2ccc(N(C)C)cc2)OC(=O)C)c(c1)C)([n]1ccc(N(C)C)cc1)[n]1ccc(N(C)C)cc1.O.OC
• Title of publication: Slow magnetic relaxation in dinuclear Co(iii)–Co(ii) complexes containing a five-coordinated Co(ii) centre with easy-axis anisotropy
• Authors of publication: Liu, Mengyao; Yang, Yimou; Jing, Rong; Zheng, Shaojun; Yuan, Aihua; Wang, Zhenxing; Luo, Shu-Chang; Liu, Xiangyu; Cui, Hui-Hui; Ouyang, Zhong-Wen; Chen, Lei
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 10.9935 ± 0.0017 Å
• b: 11.9446 ± 0.0018 Å
• c: 17.14 ± 0.002 Å
• α: 70.849 ± 0.005°
• β: 86.836 ± 0.005°
• γ: 71.907 ± 0.005°
• Cell volume: 2018.3 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.1063
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.1837
• Weighted residual factors for all reflections included in the refinement: 0.2069
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No