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Information card for entry 7214709
Preview
| Coordinates | 7214709.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C50 H36 Ag2 Cl2 N8 O8 |
|---|---|
| Calculated formula | C50 H36 Ag2 Cl2 N8 O8 |
| SMILES | c1[n]2[Ag]3[n]4c(c2ccc1)cc(cc4c1ccccc1)c1ccc(n2[n]([Ag]4[n]5ccccc5c5cc(cc([n]45)c4ccccc4)c4ccc(n5[n]3ccc5)cc4)ccc2)cc1.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O |
| Title of publication | Role of anions in preparing silver(i) complexes with a new multidentate ligand: polymorphs, structures and nonlinear optical properties |
| Authors of publication | Jin, Feng; Yang, Xiao-Fei; Li, Sheng-Li; Zheng, Zheng; Yu, Zhi-Peng; Kong, Lin; Hao, Fu-Ying; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping |
| Journal of publication | CrystEngComm |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 24 |
| Pages of publication | 8409 |
| a | 16.667 ± 0.005 Å |
| b | 22.086 ± 0.005 Å |
| c | 14.712 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 119.395 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 4718 ± 2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1095 |
| Residual factor for significantly intense reflections | 0.0435 |
| Weighted residual factors for significantly intense reflections | 0.0839 |
| Weighted residual factors for all reflections included in the refinement | 0.1078 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7214709.cif |
| 180478 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/47. |
7214709.cif |
| 110950 | 2014-04-20 | cif/ Adding structures of 7214706, 7214707, 7214708, 7214709, 7214710 via cif-deposit CGI script. |
7214709.cif |
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