Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2240197
Preview
| Coordinates | 2240197.cif |
|---|---|
| Structure factors | 2240197.hkl |
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | Tetrakis(1<i>H</i>-pyrazole-κ<i>N</i>^2^)palladium(II) dichloride |
|---|---|
| Formula | C12 H16 Cl2 N8 Pd |
| Calculated formula | C12 H16 Cl2 N8 Pd |
| SMILES | c1cc[n]([nH]1)[Pd]([n]1ccc[nH]1)([n]1ccc[nH]1)[n]1ccc[nH]1.[Cl-].[Cl-] |
| Title of publication | Unexpected formation and crystal structure of tetrakis(1<i>H</i>-pyrazole-κ<i>N</i>^2^)palladium(II) dichloride |
| Authors of publication | Wagner, Thomas; Christiansen, Nena; Hrib, Cristian G.; Kaufmann, Dieter E.; Edelmann, Frank T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 12 |
| Pages of publication | 486 - 488 |
| a | 13.797 ± 0.003 Å |
| b | 9.656 ± 0.0019 Å |
| c | 14.174 ± 0.003 Å |
| α | 90° |
| β | 117.8 ± 0.03° |
| γ | 90° |
| Cell volume | 1670.4 ± 0.8 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.044 |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for significantly intense reflections | 0.0917 |
| Weighted residual factors for all reflections included in the refinement | 0.0943 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.123 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2240197.cif 2240197.hkl |
| 181901 | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/01 |
2240197.cif 2240197.hkl |
| 181321 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/01. |
2240197.cif 2240197.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240197.cif 2240197.hkl |
| 127320 | 2014-11-15 | cif/ hkl/ Adding structures of 2240197 via cif-deposit CGI script. |
2240197.cif 2240197.hkl |
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.