Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2225631
Preview
| Coordinates | 2225631.cif |
|---|---|
| Structure factors | 2225631.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis[4-(2-carbamoylhydrazin-1-ylidene-κ^2^<i>N</i>^1^,<i>O</i>)-5- hydroxymethyl-2-methylpyridinium-3-olato-κ<i>O</i>^3^]cobalt(II) dinitrate dihydrate |
|---|---|
| Formula | C18 H28 Co N10 O14 |
| Calculated formula | C18 H28 Co N10 O14 |
| SMILES | [Co]1234([O]=C(N)N[N]1=Cc1c(CO)c[nH+]c(c1O2)C)[O]=C(N[N]3=Cc1c(O4)c([nH+]cc1CO)C)N.O.O=N(=O)[O-].O.O=N(=O)[O-] |
| Title of publication | Bis[4-(2-carbamoylhydrazin-1-ylidene-κ^2^<i>N</i>^1^,<i>O</i>)-5-hydroxymethyl-2-methylpyridinium-3-olato-κ<i>O</i>^3^]cobalt(II) dinitrate dihydrate |
| Authors of publication | Vidovic, Dragoslav; Jevtovic, Violeta |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 4 |
| Pages of publication | m408 - m409 |
| a | 11.0358 ± 0.0001 Å |
| b | 18.4859 ± 0.0002 Å |
| c | 13.838 ± 0.0001 Å |
| α | 90° |
| β | 106.571 ± 0.0006° |
| γ | 90° |
| Cell volume | 2705.8 ± 0.04 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 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 | 0.0467 |
| Residual factor for significantly intense reflections | 0.0329 |
| Weighted residual factors for all reflections | 0.0413 |
| Weighted residual factors for significantly intense reflections | 0.034 |
| Weighted residual factors for all reflections included in the refinement | 0.0413 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1374 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181177 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/56. |
2225631.cif 2225631.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2225631.cif 2225631.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2225631.cif 2225631.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2225631.cif 2225631.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2225631.cif 2225631.hkl |
| 5310 | 2011-01-02 | cif/ Running cif_fix_enum with the core CIF dictionary on COD ranges 2, 8 and 9. Range 9 remained unchanged, and in ranges 2 and 8 there were 17309 modified files, most changes were fixes enumerator case. |
2225631.cif 2225631.hkl |
| 1157 | 2010-05-06 | hkl/ Adding Fobs data for the recent IUCr deposition. |
2225631.cif 2225631.hkl |
| 1144 | 2010-05-03 | cif/2/ Adding CIFs from Acta-Cryst-E-2010_04/ deposition. |
2225631.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.