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Information card for entry 2017832
Preview
| Coordinates | 2017832.cif |
|---|---|
| Structure factors | 2017832.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>cis</i>-diacetonitrile[(1<i>R</i>,2<i>R</i>)-1,2-diaminocyclohexane- κ^2^<i>N</i>,<i>N</i>']platinum(II) dinitrate monohydrate |
|---|---|
| Formula | C10 H22 N6 O7 Pt |
| Calculated formula | C10 H22 N6 O7 Pt |
| SMILES | [Pt]1([NH2][C@@H]2CCCC[C@H]2[NH2]1)([N]#CC)[N]#CC.N(=O)(=O)[O-].N(=O)(=O)[O-].O |
| Title of publication | A new [(1<i>R</i>,2<i>R</i>)-1,2-diaminocyclohexane]platinum(II) complex: formation by nitrate‒acetonitrile ligand exchange |
| Authors of publication | Pažout, Richard; Housková, Jitka; Dušek, Michal; Maixner, Jaroslav; Cibulková, Jana; Kačer, Petr |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 10 |
| Pages of publication | m273 - m275 |
| a | 12.6799 ± 0.0003 Å |
| b | 12.0326 ± 0.0003 Å |
| c | 11.6791 ± 0.0002 Å |
| α | 90° |
| β | 94.5495 ± 0.0017° |
| γ | 90° |
| Cell volume | 1776.29 ± 0.07 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0136 |
| Residual factor for significantly intense reflections | 0.0121 |
| Weighted residual factors for significantly intense reflections | 0.0298 |
| Weighted residual factors for all reflections included in the refinement | 0.0301 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180847 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/78. |
2017832.cif 2017832.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. |
2017832.cif 2017832.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2017832.cif 2017832.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2017832.cif 2017832.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2017832.cif 2017832.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2017832.cif 2017832.hkl |
| 4140 | 2010-12-16 | ../uploads/cif-deposit/cod/cif Adding structures of 2017832 via cif-deposit CGI script. |
2017832.cif |
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Users of the data should acknowledge the original authors of the
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