Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4336996
Preview
| Coordinates | 4336996.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C12 H10 Ag4 N18 O16 |
|---|---|
| Calculated formula | C12 H10 Ag4 N18 O16 |
| 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 | 8.5731 ± 0.0003 Å |
| b | 12.244 ± 0.0005 Å |
| c | 13.8489 ± 0.0005 Å |
| α | 90.032 ± 0.001° |
| β | 91.937 ± 0.001° |
| γ | 98.991 ± 0.002° |
| Cell volume | 1435 ± 0.09 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0232 |
| Residual factor for significantly intense reflections | 0.0199 |
| Weighted residual factors for significantly intense reflections | 0.0455 |
| Weighted residual factors for all reflections included in the refinement | 0.0471 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| 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. |
4336996.cif |
| 179472 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/69. |
4336996.cif |
| 103061 | 2014-02-25 | cif/ Adding structures of 4336996 via cif-deposit CGI script. |
4336996.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.