Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7211005
Preview
| Coordinates | 7211005.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H22 N6 O4 |
|---|---|
| Calculated formula | C26 H22 N6 O4 |
| SMILES | c12ccc3c4c(ccc(c14)C(=O)N(C2=O)CCCn1cncc1)C(=O)N(C3=O)CCCn1cncc1 |
| Title of publication | Manganese(ii) and copper(ii) nitrate bis-imidazole coordination polymers: dimensionality and product morphology |
| Authors of publication | Richards, Victoria J.; Blake, Alexander J.; Lewis, William; Nowell, Harriott; Parmenter, Christopher D. J.; Champness, Neil R. |
| Journal of publication | CrystEngComm |
| Year of publication | 2013 |
| Journal volume | 15 |
| Journal issue | 45 |
| Pages of publication | 9704 |
| a | 12.2465 ± 0.0018 Å |
| b | 8.9751 ± 0.0013 Å |
| c | 21.857 ± 0.003 Å |
| α | 90° |
| β | 116.809 ± 0.006° |
| γ | 90° |
| Cell volume | 2144.2 ± 0.5 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.11 |
| Residual factor for significantly intense reflections | 0.0957 |
| Weighted residual factors for significantly intense reflections | 0.167 |
| Weighted residual factors for all reflections included in the refinement | 0.173 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.29 |
| Diffraction radiation wavelength | 0.71073 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. |
7211005.cif |
| 180441 | 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 7/21/10. |
7211005.cif |
| 90176 | 2013-11-17 | cif/ Adding structures of 7211005, 7211006, 7211007, 7211008 via cif-deposit CGI script. |
7211005.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.