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Information card for entry 4508152
Preview
| Coordinates | 4508152.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H19 Ag Mo12 N9 O42 P |
|---|---|
| Calculated formula | C19 H19 Ag Mo12 N9 O42 P |
| SMILES | [Ag]12([O]3[Mo]456(=O)O[Mo]789(O[Mo]%10%113(=O)O[Mo]3%12%13(O[Mo]%14%15(O7)(=O)O[Mo]7%16(O[Mo]%17%18%19(O[Mo]%20(O%14)(O3)(=O)O[Mo]3%14(=O)(O[Mo]%21(O[Mo]%22(O3)(=O)(O[Mo](O%18)(=O)(O7)(O5)[O]%16%19=P([O]69%11)([O]%13%15%20)[O]%14%21%22)O4)(=O)(O%12)O%10)O%17)=O)(=O)O8)=O)=O)[n]3c(c4[n]1c([nH]n4)c1cc[nH+]cc1)cccc3c1[n]2c([nH]n1)c1cc[nH+]cc1.O.O |
| Title of publication | Porous and Nanorod-Like Coordination Polymers Assembled from a New V-Shaped Bis(1,2,4-triazolyl)tripyridine Ligand |
| Authors of publication | Yang, Peng; Li, Ming-Xing; Shao, Min; Wang, Meng-Si; Cao, Shi-Xun; Zhang, Jin-Cang; Zhang, Heng-Hua |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2013 |
| Journal volume | 13 |
| Journal issue | 10 |
| Pages of publication | 4305 |
| a | 30.2207 ± 0.0017 Å |
| b | 18.7391 ± 0.001 Å |
| c | 17.5365 ± 0.001 Å |
| α | 90° |
| β | 102.794 ± 0.001° |
| γ | 90° |
| Cell volume | 9684.5 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0598 |
| Residual factor for significantly intense reflections | 0.0466 |
| Weighted residual factors for significantly intense reflections | 0.0938 |
| Weighted residual factors for all reflections included in the refinement | 0.1048 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301842 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/50/ Each referenced PubChem compound corresponds to the full crystal structure. |
4508152.cif |
| 179617 | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/81. |
4508152.cif |
| 88848 | 2013-10-09 | cif/ Adding structures of 4508152 via cif-deposit CGI script. |
4508152.cif |
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Users of the data should acknowledge the original authors of the
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