Information card for entry 7240150

Structure parameters

• Formula: C60 H84 Cl2 Cu2 Fe2 N20 O14
• Calculated formula: C60 H84 Cl2 Cu2 Fe2 N20 O14
• 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: 12.6416 ± 0.001 Å
• b: 14.7984 ± 0.0014 Å
• c: 38.007 ± 0.003 Å
• α: 90°
• β: 90.598 ± 0.006°
• γ: 90°
• Cell volume: 7109.8 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1574
• Residual factor for significantly intense reflections: 0.0918
• Weighted residual factors for significantly intense reflections: 0.2141
• Weighted residual factors for all reflections included in the refinement: 0.267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No