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Information card for entry 2018717
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| Coordinates | 2018717.cif |
|---|---|
| Structure factors | 2018717.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>cis</i>-dibromido[(1<i>R</i>,2<i>R</i>)-cyclohexane-1,2-diamine- κ^2^<i>N</i>,<i>N</i>']platinum(II)} |
|---|---|
| Formula | C6 H14 Br2 N2 Pt |
| Calculated formula | C6 H14 Br2 N2 Pt |
| SMILES | [Pt]1(Br)(Br)[NH2][C@@H]2CCCC[C@H]2[NH2]1 |
| Title of publication | A new platinum‒bromine cyclohexanediamine complex from the family of cancer cytostatics |
| Authors of publication | Pažout, Richard; Maixner, Jaroslav; Holakovská, Jitka; Dušek, Michal; Kačer, Petr |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 12 |
| Pages of publication | m340 - m343 |
| a | 11.716 ± 0.003 Å |
| b | 7.1266 ± 0.0014 Å |
| c | 13.288 ± 0.002 Å |
| α | 90° |
| β | 97.423 ± 0.017° |
| γ | 90° |
| Cell volume | 1100.2 ± 0.4 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 | 0.036 |
| Residual factor for significantly intense reflections | 0.0335 |
| Weighted residual factors for significantly intense reflections | 0.0399 |
| Weighted residual factors for all reflections included in the refinement | 0.0403 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.16 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180856 (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 2/01/87. |
2018717.cif 2018717.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. |
2018717.cif 2018717.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018717.cif 2018717.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. | 2018717.cif 2018717.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2018717.cif 2018717.hkl |
| 71228 | 2013-01-18 | cif/ Adding structures of 2018717 via cif-deposit CGI script. |
2018717.cif |
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