Information card for entry 7041642

Structure parameters

• Formula: C39 H27 Co N3 O8
• Calculated formula: C39 H27 Co N3 O8
• Title of publication: Two 2-D multifunctional cobalt(ii) compounds: field-induced single-ion magnetism and catalytic oxidation of benzylic C-H bonds.
• Authors of publication: Ma, Ranran; Chen, Zhiwei; Cao, Fan; Wang, Suna; Huang, Xianqiang; Li, Yunwu; Lu, Jing; Li, Dacheng; Dou, Jianmin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 7
• Pages of publication: 2137 - 2145
• a: 9.828 ± 0.0008 Å
• b: 13.1261 ± 0.0011 Å
• c: 14.0239 ± 0.0012 Å
• α: 91.929 ± 0.001°
• β: 106.802 ± 0.002°
• γ: 100.302 ± 0.002°
• Cell volume: 1697 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1005
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1444
• Weighted residual factors for all reflections included in the refinement: 0.1599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No