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Information card for entry 2240281
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| Coordinates | 2240281.cif |
|---|---|
| Structure factors | 2240281.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>}chloridopalladium nitrate |
|---|---|
| Formula | C14 H23 Cl N6 O3 Pd |
| Calculated formula | C14 H23 Cl N6 O3 Pd |
| SMILES | [Pd]12(Cl)[n]3n(c(cc3C)C)CC[NH]1CCn1[n]2c(cc1C)C.N(=O)(=O)[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 | 11.046 ± 0.002 Å |
| b | 12.2941 ± 0.0015 Å |
| c | 14.0978 ± 0.0016 Å |
| α | 90° |
| β | 94.74 ± 0.016° |
| γ | 90° |
| Cell volume | 1907.9 ± 0.5 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 1 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1064 |
| Residual factor for significantly intense reflections | 0.0601 |
| Weighted residual factors for significantly intense reflections | 0.1331 |
| Weighted residual factors for all reflections included in the refinement | 0.1575 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| 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 |
2240281.cif 2240281.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. |
2240281.cif 2240281.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. |
2240281.cif 2240281.hkl |
| 128716 | 2014-12-14 | cif/ hkl/ Adding structures of 2240281, 2240282, 2240283, 2240284, 2240285 via cif-deposit CGI script. |
2240281.cif 2240281.hkl |
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Users of the data should acknowledge the original authors of the
structural data.