Information card for entry 7213949

Structure parameters

• Formula: C27 H20 N3 Ni O4
• Calculated formula: C27 H20 N3 Ni O4
• Title of publication: Syntheses, structures, and properties of a series of 2D and 3D coordination polymers based on trifunctional pyridinedicarboxylate and different (bis)imidazole bridging ligands
• Authors of publication: Fan, Liming; Zhang, Xiutang; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 11
• Pages of publication: 2144
• a: 20.249 ± 0.01 Å
• b: 10.011 ± 0.005 Å
• c: 22.164 ± 0.012 Å
• α: 90°
• β: 91.228 ± 0.012°
• γ: 90°
• Cell volume: 4492 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1267
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No