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Information card for entry 1550749
Preview
Coordinates | 1550749.cif |
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Original paper (by DOI) | HTML |
Formula | C9 H9 N7 O |
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Calculated formula | C9 H9 N7 O |
SMILES | O.n1(ncnc1)c1cc(n2ncnc2)cnc1 |
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 | 12.569 ± 0.002 Å |
b | 22.176 ± 0.003 Å |
c | 3.6728 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1023.7 ± 0.3 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 K |
Number of distinct elements | 4 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0478 |
Residual factor for significantly intense reflections | 0.0366 |
Weighted residual factors for significantly intense reflections | 0.08 |
Weighted residual factors for all reflections included in the refinement | 0.0865 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
216710 (current) | 2019-07-03 | Fixing Z values and formulae |
1550749.cif |
214131 | 2019-03-16 | cif/ Adding structures of 1550749, 1550750 via cif-deposit CGI script. |
1550749.cif |
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