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Information card for entry 4504595
Preview
| Coordinates | 4504595.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H12 Cl4 N2 Pt |
|---|---|
| Calculated formula | C12 H12 Cl4 N2 Pt |
| SMILES | c1cc(cc[nH+]1)/C=C/c1cc[nH+]cc1.[Pt](Cl)(Cl)([Cl-])[Cl-] |
| Title of publication | Crystal Synthesis of Organic−Inorganic Hybrid Salts Based on Tetrachloroplatinate and -palladate Salts of Organic Cations: Formation of Linear, Two-, and Three-Dimensional NH···Cl Hydrogen Bond Networks |
| Authors of publication | Adams, Christopher J.; Angeloni, Alessandro; Orpen, A. Guy; Podesta, Thomas J.; Shore, Benjamin |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2006 |
| Journal volume | 6 |
| Journal issue | 2 |
| Pages of publication | 411 |
| a | 6.811 ± 0.0014 Å |
| b | 7.7102 ± 0.0018 Å |
| c | 7.83 ± 0.0016 Å |
| α | 96.32 ± 0.02° |
| β | 110.098 ± 0.016° |
| γ | 105.81 ± 0.013° |
| Cell volume | 361.98 ± 0.15 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0242 |
| Residual factor for significantly intense reflections | 0.0242 |
| Weighted residual factors for significantly intense reflections | 0.06 |
| Weighted residual factors for all reflections included in the refinement | 0.06 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198633 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_refine_ls_hydrogen_treatment' data item 'constr' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 700 files were changed. |
4504595.cif |
| 179580 | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/45. |
4504595.cif |
| 120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4504595.cif |
| 47436 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4504594, 4504595, 4504596, 4504597, 4504598, 4504599, 4504600, 4504601, 4504602, 4504603, 4504604, 4504605, 4504606, 4504607, 4504608, 4504609, 4504610, 4504611, 4504612 via cif-deposit CGI script. |
4504595.cif |
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Users of the data should acknowledge the original authors of the
structural data.