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Information card for entry 2240283
Preview
| Coordinates | 2240283.cif |
|---|---|
| Structure factors | 2240283.hkl |
| Original IUCr paper | HTML |
| Chemical name | {Bis[2-(3,5-dimethylpyrazol-1-yl-κ<i>N</i>^2^)ethyl]amine-κ<i>N</i>}iodidopalladium iodide hemihydrate |
|---|---|
| Formula | C14 H24 I2 N5 O0.5 Pd |
| Calculated formula | C14 H24 I2 N5 O0.5 Pd |
| SMILES | [Pd]12(I)[n]3n(c(cc3C)C)CC[NH]1CCn1[n]2c(cc1C)C.[I-].O |
| Title of publication | Coordination of bis(pyrazol-1-yl)amine to palladium(II): influence of the co-ligands and counter-ions on the molecular and crystal structures |
| Authors of publication | Mendoza, María de los Angeles; Bernès, Sylvain; Mendoza-Díaz, Guillermo |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 1 |
| Pages of publication | 22 - 27 |
| a | 12.013 ± 0.004 Å |
| b | 12.089 ± 0.004 Å |
| c | 15.162 ± 0.005 Å |
| α | 106.17 ± 0.02° |
| β | 97.34 ± 0.03° |
| γ | 106.79 ± 0.03° |
| Cell volume | 1972.1 ± 1.3 Å3 |
| Cell temperature | 299 ± 2 K |
| Ambient diffraction temperature | 299 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0763 |
| Residual factor for significantly intense reflections | 0.0396 |
| Weighted residual factors for significantly intense reflections | 0.0832 |
| Weighted residual factors for all reflections included in the refinement | 0.1012 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181902 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/02 |
2240283.cif 2240283.hkl |
| 181322 | 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 2/24/02. |
2240283.cif 2240283.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. |
2240283.cif 2240283.hkl |
| 128716 | 2014-12-14 | cif/ hkl/ Adding structures of 2240281, 2240282, 2240283, 2240284, 2240285 via cif-deposit CGI script. |
2240283.cif 2240283.hkl |
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Users of the data should acknowledge the original authors of the
structural data.