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Information card for entry 4337861
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| Coordinates | 4337861.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | N,N'-3,7-diazabicyclo[3.3.1]nonane-dichloro-platinum(ii) |
|---|---|
| Formula | C7 H14 Cl2 N2 Pt |
| Calculated formula | C7 H14 Cl2 N2 Pt |
| SMILES | C1C2C[NH]3CC(C[NH]1[Pt]3(Cl)Cl)C2 |
| Title of publication | Bispidine Analogues of Cisplatin, Carboplatin, and Oxaliplatin. Synthesis, Structures, and Cytotoxicity. |
| Authors of publication | Cui, Huiling; Goddard, Richard; Pörschke, Klaus-Richard; Hamacher, Alexandra; Kassack, Matthias U. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 7 |
| Pages of publication | 3371 |
| a | 11.799 ± 0.0012 Å |
| b | 7.0659 ± 0.0008 Å |
| c | 12.1075 ± 0.0005 Å |
| α | 90° |
| β | 91.753 ± 0.006° |
| γ | 90° |
| Cell volume | 1008.94 ± 0.16 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| 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 | 0.0208 |
| Residual factor for significantly intense reflections | 0.017 |
| Weighted residual factors for significantly intense reflections | 0.0335 |
| Weighted residual factors for all reflections included in the refinement | 0.0343 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4337861.cif |
| 110325 | 2014-04-18 | cod/cif/ (saulius@koala.ibt.lt) Appending periods (".") to author initials in the recently added bibliographies (using 'cif_reformat_pubmed_author_names'). |
4337861.cif |
| 109908 | 2014-04-17 | cif/ Updating files of 4337861, 4337862, 4337863, 4337864, 4337865 Original log message: Adding full bibliography for 4337861--4337865.cif. |
4337861.cif |
| 108455 | 2014-04-02 | cif/ Adding structures of 4337861, 4337862, 4337863, 4337864, 4337865 via cif-deposit CGI script. |
4337861.cif |
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