Information card for entry 7223915

Structure parameters

• Formula: C32 H42 Cu2 N20 O13
• Calculated formula: C32 H42 Cu2 N20 O13
• Title of publication: Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand
• Authors of publication: Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 8
• Pages of publication: 1350
• a: 8.2134 ± 0.0016 Å
• b: 16.974 ± 0.003 Å
• c: 19.396 ± 0.006 Å
• α: 90°
• β: 101.13 ± 0.03°
• γ: 90°
• Cell volume: 2653.2 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1526
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.2186
• Weighted residual factors for all reflections included in the refinement: 0.2485
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No