Information card for entry 7233975

Structure parameters

• Formula: C80 H72 N8 Ni4 O31
• Calculated formula: C80 H72 N8 Ni4 O31
• Title of publication: Eight coordination compounds assembled from unexplored semi-rigid ether-based unsymmetrical tetracarboxylate and various dipyridyl ligands: structural variation, magnetic and photoluminescence properties
• Authors of publication: Yue, Qi; Wang, Yuan-Yuan; Hu, Xiao-Lu; Guo, Wei-Xiao; Gao, En-Qing
• Journal of publication: CrystEngComm
• Year of publication: 2019
• a: 13.6058 ± 0.0004 Å
• b: 24.4866 ± 0.0007 Å
• c: 11.6606 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3884.84 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No