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Information card for entry 2240284
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| Coordinates | 2240284.cif |
|---|---|
| Structure factors | 2240284.hkl |
| Original IUCr paper | HTML |
| Chemical name | Azido{bis[2-(3,5-dimethylpyrazol-1-yl-κ<i>N</i>^2^)ethyl]amine-\ κ<i>N</i>}palladium azide monohydrate |
|---|---|
| Formula | C14 H25 N11 O Pd |
| Calculated formula | C14 H25 N11 O Pd |
| SMILES | [Pd]12([n]3n(c(cc3C)C)CC[NH]1CCn1[n]2c(cc1C)C)N=N#N.[N-]=N#N.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 | 8.132 ± 0.003 Å |
| b | 22.851 ± 0.005 Å |
| c | 11.372 ± 0.003 Å |
| α | 90° |
| β | 109.03 ± 0.02° |
| γ | 90° |
| Cell volume | 1997.7 ± 1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 1 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 | 0.0425 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for significantly intense reflections | 0.091 |
| Weighted residual factors for all reflections included in the refinement | 0.0971 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| 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 |
2240284.cif 2240284.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. |
2240284.cif 2240284.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. |
2240284.cif 2240284.hkl |
| 128716 | 2014-12-14 | cif/ hkl/ Adding structures of 2240281, 2240282, 2240283, 2240284, 2240285 via cif-deposit CGI script. |
2240284.cif 2240284.hkl |
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Users of the data should acknowledge the original authors of the
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