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Information card for entry 1542476
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| Coordinates | 1542476.cif |
|---|---|
| Structure factors | 1542476.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>trans</i>-Dichlorido{3,4-dimethoxy-2-[(2,3-η)-prop-2-en-1-yl]benzene}(pyridine-κ<i>N</i>)platinum(II) |
|---|---|
| Formula | C16 H19 Cl2 N O2 Pt |
| Calculated formula | C16 H19 Cl2 N O2 Pt |
| SMILES | [Pt]1(Cl)(Cl)([n]2ccccc2)[CH2]=[CH]1Cc1cc(OC)c(OC)cc1 |
| Title of publication | <i>trans</i>-Dichlorido{3,4-dimethoxy-2-[(2,3-η)-prop-2-en-1-yl]benzene}(pyridine-κ<i>N</i>)platinum(II) |
| Authors of publication | Bui, Thi Yen Hang; Nguyen Thi Thanh, Chi; Van Meervelt, Luc |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 1 |
| Pages of publication | x152176 |
| a | 15.1282 ± 0.0005 Å |
| b | 7.25666 ± 0.00017 Å |
| c | 16.3038 ± 0.0005 Å |
| α | 90° |
| β | 108.013 ± 0.003° |
| γ | 90° |
| Cell volume | 1702.11 ± 0.09 Å3 |
| Cell temperature | 95 ± 2 K |
| Ambient diffraction temperature | 95.15 K |
| Number of distinct elements | 6 |
| 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 | 0.0285 |
| Residual factor for significantly intense reflections | 0.0242 |
| Weighted residual factors for significantly intense reflections | 0.0485 |
| Weighted residual factors for all reflections included in the refinement | 0.0511 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181861 (current) | 2016-04-06 | hkl/ (antanas@echidna.ibt.lt) Adding IUCr specific svn headers to multiple entries in range 1. |
1542476.cif 1542476.hkl |
| 177524 | 2016-03-04 | cif/ Updating files of 1542476 Original log message: Adding full bibliography for 1542476.cif. |
1542476.cif 1542476.hkl |
| 176753 | 2016-02-19 | cif/1/54/ Fixing paper titles for structures from IUCrData journal. |
1542476.cif 1542476.hkl |
| 176532 | 2016-02-17 | cif/ hkl/ Adding structures of 1542476 via cif-deposit CGI script. |
1542476.cif 1542476.hkl |
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