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Information card for entry 1560715
Preview
Coordinates | 1560715.cif |
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Original paper (by DOI) | HTML |
Formula | C2 H4 Cu N8 O4 |
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Calculated formula | C2 H4 Cu N8 O4 |
SMILES | [Cu]12([n]3c4c5n(O1)nn[n]5[Cu]([OH2])([OH2])On4nn3)([OH2])([OH2])On1c(nnn1)c1n(nn[n]21)[O-] |
Title of publication | Design and synthesis of two energetic coordination polymers based on copper ion and 1H,1′H-[5,5′-bitetrazole]-1,1′-diol: A comparative study of the structure-property relationships |
Authors of publication | Guo, Zhaoqi; Liu, Xuemin; Chen, Xiang; Zhang, Cong; Yang, Guoping; Zhang, Yazhou; Ma, Haixia |
Journal of publication | Journal of Solid State Chemistry |
Year of publication | 2018 |
Journal volume | 268 |
Pages of publication | 55 - 61 |
a | 6.255 ± 0.004 Å |
b | 10.925 ± 0.006 Å |
c | 5.352 ± 0.003 Å |
α | 90° |
β | 91.592 ± 0.01° |
γ | 90° |
Cell volume | 365.6 ± 0.4 Å3 |
Cell temperature | 296 K |
Ambient diffraction temperature | 296.15 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0728 |
Residual factor for significantly intense reflections | 0.0458 |
Weighted residual factors for significantly intense reflections | 0.1075 |
Weighted residual factors for all reflections included in the refinement | 0.1203 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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262310 (current) | 2021-02-27 | cif/ Adding structures of 1560715, 1560716 via cif-deposit CGI script. |
1560715.cif |
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