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Information card for entry 2239133
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| Coordinates | 2239133.cif |
|---|---|
| Structure factors | 2239133.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dichlorido(1,10-phenanthroline-5,6-dione-\ κ^2^<i>N</i>,<i>N</i>')platinum(II) acetonitrile monosolvate |
|---|---|
| Formula | C14 H9 Cl2 N3 O2 Pt |
| Calculated formula | C14 H9 Cl2 N3 O2 Pt |
| SMILES | [Pt]1([n]2cccc3C(=O)C(=O)c4ccc[n]1c4c23)(Cl)Cl.N#CC |
| Title of publication | An acetonitrile solvatomorph of dichlorido(1,10-phenanthroline-5,6-dione)platinum(II) |
| Authors of publication | Hamala, Amanda; Fritz, Carissa; Rawji, Gulnar; Lynch, Vincent |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 1 |
| Pages of publication | m11 - m12 |
| a | 6.7285 ± 0.0002 Å |
| b | 22.638 ± 0.0006 Å |
| c | 9.7561 ± 0.0003 Å |
| α | 90° |
| β | 98.074 ± 0.0017° |
| γ | 90° |
| Cell volume | 1471.32 ± 0.07 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0498 |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for significantly intense reflections | 0.09 |
| Weighted residual factors for all reflections included in the refinement | 0.0942 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.159 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181891 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/91. |
2239133.cif 2239133.hkl |
| 181310 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/91. |
2239133.cif 2239133.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239133.cif 2239133.hkl |
| 105022 | 2014-03-11 | cif/ hkl/ Adding structures of 2239133 via cif-deposit CGI script. |
2239133.cif 2239133.hkl |
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