Information card for entry 4512885

Structure parameters

• Formula: C31 H29 N3 Ni1.5 O14
• Calculated formula: C31 H29 N3 Ni1.5 O14
• Title of publication: Seven Coordination Polymers Derived from Semirigid Tetracarboxylic Acids and N-Donor Ligands: Topological Structures, Unusual Magnetic Properties, and Photoluminescences
• Authors of publication: Si, Chang-Dai; Hu, Dong-Cheng; Fan, Yan; Wu, Yu; Yao, Xiao-Qiang; Yang, Yun-Xia; Liu, Jia-Cheng
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 5
• Pages of publication: 2419
• a: 37.359 ± 0.002 Å
• b: 7.7625 ± 0.0002 Å
• c: 22.3426 ± 0.0007 Å
• α: 90°
• β: 91.094 ± 0.004°
• γ: 90°
• Cell volume: 6478.2 ± 0.4 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: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No