Information card for entry 1564025

Structure parameters

• Formula: C40 H26 N4 Ni2 O18
• Calculated formula: C40 H26 N4 Ni2 O18
• Title of publication: 2D/3D coordination polymers based on di-, tri-, tetranuclear and polymeric chain units with a tricarboxylate ligand: Structures, magnetic and luminescent properties
• Authors of publication: Wei, Han; Huang, Hong; Gao, Wei; Wang, Cui-Li; Liu, Jie-Ping; Zhang, Xiu-Mei
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 513
• Pages of publication: 119944
• a: 7.09 ± 0.0009 Å
• b: 9.9369 ± 0.0008 Å
• c: 12.9142 ± 0.0013 Å
• α: 95.119 ± 0.001°
• β: 95.24 ± 0.001°
• γ: 98.968 ± 0.002°
• Cell volume: 890 ± 0.16 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: 0.0875
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No