Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7032860
Preview
| Coordinates | 7032860.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | cis,trans-diamminedibromo(1,1-cyclobutanedicarboxylato)platinum(IV) dimethylformamide |
|---|---|
| Formula | C9 H19 Br2 N3 O5 Pt |
| Calculated formula | C9 H19 Br2 N3 O5 Pt |
| SMILES | [Pt]1(Br)(Br)(OC(=O)C2(C(=O)O1)CCC2)([NH3])[NH3].O=CN(C)C |
| Title of publication | Oxidative halogenation of cisplatin and carboplatin: synthesis, spectroscopy, and crystal and molecular structures of Pt(IV) prodrugs. |
| Authors of publication | Johnstone, Timothy C.; Alexander, Sarah M.; Wilson, Justin J.; Lippard, Stephen J. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 1 |
| Pages of publication | 119 - 129 |
| a | 8.1817 ± 0.0004 Å |
| b | 9.5209 ± 0.0005 Å |
| c | 11.4203 ± 0.0005 Å |
| α | 108.009 ± 0.001° |
| β | 107.49 ± 0.001° |
| γ | 95.406 ± 0.001° |
| Cell volume | 789.55 ± 0.07 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0197 |
| Residual factor for significantly intense reflections | 0.0188 |
| Weighted residual factors for significantly intense reflections | 0.0512 |
| Weighted residual factors for all reflections included in the refinement | 0.0516 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.134 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180034 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/28. |
7032860.cif |
| 171772 | 2015-12-31 | cif/ (antanas@kurmis) Removing surrounding qoutes ("'") from the _chemical_name_common tag values in multiple entries. |
7032860.cif |
| 131083 | 2015-02-04 | cif/ Updating files of 7032857, 7032858, 7032859, 7032860, 7032861, 7032862, 7032863, 7032864, 7032865, 7032866 Original log message: Adding full bibliography for 7032857--7032866.cif. |
7032860.cif |
| 125578 | 2014-10-21 | cif/ Adding structures of 7032857, 7032858, 7032859, 7032860, 7032861, 7032862, 7032863, 7032864, 7032865, 7032866 via cif-deposit CGI script. |
7032860.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.