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Information card for entry 2018304
Preview
Coordinates | 2018304.cif |
---|---|
Structure factors | 2018304.hkl |
Original IUCr paper | HTML |
Chemical name | poly[[μ~2~-2-(2,2'-bi-1<i>H</i>-imidazoly-1-yl)acetato]cadmium] |
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Formula | C16 H14 Cd N8 O4 |
Calculated formula | C16 H14 Cd N8 O4 |
SMILES | [Cd]123([n]4c(c5[n]2cc[nH]5)n(cc4)CC(=O)O[Cd]2456([n]7c(n(CC(=O)O3)cc7)c3[n]4cc[nH]3)[n]3ccn(CC(=O)[O-])c3c3[n]2cc[nH]3)[n]2ccn(c2c2[n]1cc[nH]2)CC(=[O]1)O[Cd]2341([n]1c(c7[n]2cc[nH]7)n(cc1)CC(=O)O[Cd]12([n]7c(n(CC(=O)O3)cc7)c3[n]1cc[nH]3)[n]1ccn(CC(=[O]5)O6)c1c1[n]2cc[nH]1)[n]1ccn(c1c1[n]4cc[nH]1)CC(=O)[O-] |
Title of publication | The coordination polymer poly[bis[μ~2~-2-(2,2'-bi-1<i>H</i>-imidazol-1-yl)acetato]cadmium] |
Authors of publication | Tao, Jian-Qing; Wang, Jun; Xu, Xiao-Juan |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 11 |
Pages of publication | m364 - m366 |
a | 8.1262 ± 0.0014 Å |
b | 10.5663 ± 0.0019 Å |
c | 10.8076 ± 0.0019 Å |
α | 73.15 ± 0.003° |
β | 78.568 ± 0.003° |
γ | 83.055 ± 0.003° |
Cell volume | 868.5 ± 0.3 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0367 |
Residual factor for significantly intense reflections | 0.0315 |
Weighted residual factors for significantly intense reflections | 0.0637 |
Weighted residual factors for all reflections included in the refinement | 0.0653 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.968 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2018304.html
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