Information card for entry 1550750

Structure parameters

• Formula: C36 H40 N14 Ni3 O22
• Calculated formula: C36 H40 N14 Ni3 O22
• Title of publication: A two-dimensional Ni(II) coordination polymer based on 3,5-bis(1’,2’,4’-triazol-1’-yl) pyridine ligand for water electro-oxidation
• Authors of publication: Wang, Chunling; Song, Chuanqqi; Shen, Wen-Hui; Qi, Yuan-Yuan; Xue, Ying; Shi, Yao-Cheng; Yu, Huaguang; Feng, Ligang
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2019
• a: 20.1497 ± 0.0019 Å
• b: 7.1876 ± 0.0007 Å
• c: 34.937 ± 0.004 Å
• α: 90°
• β: 94.669 ± 0.003°
• γ: 90°
• Cell volume: 5043.1 ± 0.9 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 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: 0.0852
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No