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Information card for entry 7205337
Preview
Coordinates | 7205337.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C72 H56 As4 Cd4 N8 O26 S4 |
---|---|
Calculated formula | C72 H56 As4 Cd4 N8 O26 S4 |
SMILES | c12c(cccc1)S(=O)(=O)O[Cd]13([n]4cccc5ccc6ccc[n]1c6c45)([O]([As]2(O)=O)[Cd]12([n]4cccc5ccc6ccc[n]1c6c45)([O]3[As](c1c(cccc1)S(=O)(=O)O2)(O)=O)[OH2])[OH2].[n]12cccc3ccc4ccc[n](c4c13)[Cd]1342[O]=[As]2(O)c5c(cccc5)S(=O)(=O)[O]3[Cd]35([n]6cccc7ccc8ccc[n]3c8c67)(O2)[O]=[As](c2c(cccc2)S(=O)(=O)[O]45)(O1)O |
Title of publication | Towards rational design of zinc(ii) and cadmium(ii) sulfonate-arsonates with low dimensional aggregations |
Authors of publication | Yi, Fei-Yan; Xu, Hai-Bing; Zhou, Tian-Hua; Mao, Jiang-Gao |
Journal of publication | CrystEngComm |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 5 |
Pages of publication | 1480 |
a | 8.003 ± 0.003 Å |
b | 11.771 ± 0.004 Å |
c | 21.224 ± 0.009 Å |
α | 81.526 ± 0.009° |
β | 81.531 ± 0.009° |
γ | 75.679 ± 0.01° |
Cell volume | 1903.2 ± 1.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1098 |
Residual factor for significantly intense reflections | 0.0645 |
Weighted residual factors for significantly intense reflections | 0.1334 |
Weighted residual factors for all reflections included in the refinement | 0.1533 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.88 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7205337.html
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