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Information card for entry 2240517
Preview
| Coordinates | 2240517.cif |
|---|---|
| Structure factors | 2240517.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | {Bis[2-(3,5-dimethylpyrazol-1-yl-κ<i>N</i>^2^)ethyl]amine-κ<i>N</i>}chloridoplatinum(II) chloride dihydrate |
|---|---|
| Formula | C14 H27 Cl2 N5 O2 Pt |
| Calculated formula | C14 H27 Cl2 N5 O2 Pt |
| SMILES | [Pt]12(Cl)[n]3n(c(cc3C)C)CC[NH]1CCn1[n]2c(cc1C)C.[Cl-].O.O |
| Title of publication | Crystal structure of {bis[2-(3,5-dimethylpyrazol-1-yl-κ<i>N</i>^2^)ethyl]amine-κ<i>N</i>}chloridoplatinum(II) chloride dihydrate |
| 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 | 4 |
| Pages of publication | m98 - m99 |
| a | 7.944 ± 0.004 Å |
| b | 22.523 ± 0.004 Å |
| c | 11.783 ± 0.002 Å |
| α | 90° |
| β | 109.34 ± 0.02° |
| γ | 90° |
| Cell volume | 1989.3 ± 1.1 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 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 | 0.0581 |
| Residual factor for significantly intense reflections | 0.0521 |
| Weighted residual factors for significantly intense reflections | 0.1325 |
| Weighted residual factors for all reflections included in the refinement | 0.1383 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181905 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/05 |
2240517.cif 2240517.hkl |
| 181325 | 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 2/24/05. |
2240517.cif 2240517.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. |
2240517.cif 2240517.hkl |
| 134250 | 2015-03-22 | cif/ hkl/ Adding structures of 2240517 via cif-deposit CGI script. |
2240517.cif 2240517.hkl |
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Users of the data should acknowledge the original authors of the
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