Information card for entry 7233976

Structure parameters

• Formula: C40 H36 N4 Ni2 O12
• Calculated formula: C40 H36 N4 Ni2 O12
• 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: 10.322 ± 0.0006 Å
• b: 11.3221 ± 0.0006 Å
• c: 19.1686 ± 0.001 Å
• α: 100.686 ± 0.002°
• β: 100.863 ± 0.002°
• γ: 102.414 ± 0.002°
• Cell volume: 2088.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0533
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No