Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7020611
Preview
| Coordinates | 7020611.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 1,10-phenanthrolinium (1,10-phenanthroline-N,N')bis(oxalato-O,O')chromium(III) dihydrate |
|---|---|
| Formula | C28 H21 Cr N4 O10 |
| Calculated formula | C28 H21 Cr N4 O10 |
| SMILES | [Cr]123(OC(=O)C(=O)O1)(OC(=O)C(=O)O2)[n]1cccc2ccc4ccc[n]3c4c12.O.O.[nH+]1cccc2ccc3cccnc3c12 |
| Title of publication | Supramolecular architectures of novel chromium(iii) oxalate complexes: steric effects of the ligand size and building-blocks approach. |
| Authors of publication | Androš, Lidija; Jurić, Marijana; Molčanov, Krešimir; Planinić, Pavica |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 48 |
| Pages of publication | 14611 - 14624 |
| a | 18.662 ± 0.005 Å |
| b | 18.923 ± 0.005 Å |
| c | 7.637 ± 0.005 Å |
| α | 90° |
| β | 96.76 ± 0.005° |
| γ | 90° |
| Cell volume | 2678 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0388 |
| Residual factor for significantly intense reflections | 0.0338 |
| Weighted residual factors for significantly intense reflections | 0.0946 |
| Weighted residual factors for all reflections included in the refinement | 0.0984 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54179 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7020611.cif |
| 179910 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/06. |
7020611.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7020611.cif |
| 71667 | 2013-01-20 | cif/ Adding structures of 7020607, 7020608, 7020609, 7020610, 7020611, 7020612 via cif-deposit CGI script. |
7020611.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.