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Information card for entry 4336995
Preview
| Coordinates | 4336995.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C13 H9 Ag3 N14 O12 |
|---|---|
| Calculated formula | C13 H9 Ag3 N14 O12 |
| SMILES | c1(cc([n]2n1[Ag]n1c(cc([n]1[Ag]n1c(cc([n]1[Ag]2([N]#CC)[N]#CC)N(=O)=O)N(=O)=O)N(=O)=O)N(=O)=O)N(=O)=O)N(=O)=O |
| Title of publication | Solventless Supramolecular Chemistry via Vapor Diffusion of Volatile Small Molecules upon a New Trinuclear Silver(I)-Nitrated Pyrazolate Macrometallocyclic Solid: An Experimental/Theoretical Investigation of the Dipole/Quadrupole Chemisorption Phenomena |
| Authors of publication | Rossana Galassi; Simone Ricci; Alfredo Burini; Alceo Macchioni; Luca Rocchigiani; Fabio Marmottini; Sammer M. Tekarli; Vladimir N. Nesterov; Mohammad A. Omary |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2013 |
| Journal volume | 52 |
| Pages of publication | 14124 - 14137 |
| a | 14.4883 ± 0.0003 Å |
| b | 12.4162 ± 0.0003 Å |
| c | 14.3661 ± 0.0003 Å |
| α | 90° |
| β | 109.604 ± 0.001° |
| γ | 90° |
| Cell volume | 2434.51 ± 0.09 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0134 |
| Residual factor for significantly intense reflections | 0.0127 |
| Weighted residual factors for significantly intense reflections | 0.0399 |
| Weighted residual factors for all reflections included in the refinement | 0.0404 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4336995.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4336995.cif |
| 103060 | 2014-02-25 | cif/ Adding structures of 4336995 via cif-deposit CGI script. |
4336995.cif |
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Users of the data should acknowledge the original authors of the
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