Information card for entry 7240146

Structure parameters

• Formula: C33.5 H47.5 Cu Fe N12.5 O3
• Calculated formula: C33.5 H47 Cu Fe N12.5 O3
• Title of publication: Heterobimetallic complexes from 0D cluster to 3D network based-on various polycyanometallates and [Cu(dmpn)2]2+(dmpn = 2,2-dimethyl-1,3-diaminopropane): synthesis, crystal structures and magnetic properties
• Authors of publication: Hao, Xiaoyun; Shi, Jingwen; Dou, Yong; Cao, Tong; Zhou, Zhen; Yang, Lu; Li, Dacheng; Liu, Qingyun; Jiang, Jianzhuang; Zhang, Daopeng
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 11.7106 ± 0.0014 Å
• b: 14.7097 ± 0.0015 Å
• c: 16.8351 ± 0.0019 Å
• α: 101.737 ± 0.009°
• β: 110.012 ± 0.011°
• γ: 104.303 ± 0.01°
• Cell volume: 2504.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1334
• Residual factor for significantly intense reflections: 0.0857
• Weighted residual factors for significantly intense reflections: 0.2593
• Weighted residual factors for all reflections included in the refinement: 0.3082
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No