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Information card for entry 4337862
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| Coordinates | 4337862.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | N,N'-3,7-diazabicyclo[3.3.1]nonane-dichloro-platinum(ii) dimethylformamide |
|---|---|
| Formula | C10 H21 Cl2 N3 O Pt |
| Calculated formula | C10 H21 Cl2 N3 O Pt |
| SMILES | [Pt]1(Cl)(Cl)[NH]2CC3C[NH]1CC(C2)C3.O=CN(C)C |
| 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 | 6.4029 ± 0.0007 Å |
| b | 6.7311 ± 0.0008 Å |
| c | 16.8847 ± 0.0019 Å |
| α | 91.573 ± 0.002° |
| β | 94.723 ± 0.002° |
| γ | 92.842 ± 0.002° |
| Cell volume | 723.98 ± 0.14 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0386 |
| Residual factor for significantly intense reflections | 0.0358 |
| Weighted residual factors for significantly intense reflections | 0.0958 |
| Weighted residual factors for all reflections included in the refinement | 0.0969 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.179 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | Mo-Kα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179481 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/78. |
4337862.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'). |
4337862.cif |
| 109908 | 2014-04-17 | cif/ Updating files of 4337861, 4337862, 4337863, 4337864, 4337865 Original log message: Adding full bibliography for 4337861--4337865.cif. |
4337862.cif |
| 108455 | 2014-04-02 | cif/ Adding structures of 4337861, 4337862, 4337863, 4337864, 4337865 via cif-deposit CGI script. |
4337862.cif |
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