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Information card for entry 4502933
Preview
| Coordinates | 4502933.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H42 Cl2 N2 O8 Pt |
|---|---|
| Calculated formula | C42 H42 Cl2 N2 O8 Pt |
| SMILES | [Pt](Cl)(Cl)([n]1ccc(C(O)(c2ccccc2)c2ccccc2)cc1)[n]1ccc(C(O)(c2ccccc2)c2ccccc2)cc1.CC(=O)O.CC(=O)O.CC(=O)O |
| Title of publication | Supramolecular Architectures of Pt(II) Complexes Controlled by Hydrogen Bonds and by Guest Molecules |
| Authors of publication | Bacchi, Alessia; Carcelli, Mauro; Pelagatti, Paolo; Rispoli, Gabriele; Rogolino, Dominga |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2012 |
| Journal volume | 12 |
| Journal issue | 1 |
| Pages of publication | 387 |
| a | 9.577 ± 0.001 Å |
| b | 13.027 ± 0.002 Å |
| c | 16.796 ± 0.002 Å |
| α | 89.144 ± 0.002° |
| β | 85.349 ± 0.002° |
| γ | 81.51 ± 0.002° |
| Cell volume | 2065.7 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.0855 |
| Residual factor for significantly intense reflections | 0.0497 |
| Weighted residual factors for significantly intense reflections | 0.1094 |
| Weighted residual factors for all reflections included in the refinement | 0.1335 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.153 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179560 (current) | 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 4/50/29. |
4502933.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4502933.cif |
| 37799 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 4502933, 4502934, 4502935, 4502936, 4502937, 4502938, 4502939, 4502940, 4502941, 4502942, 4502943 via cif-deposit CGI script. |
4502933.cif |
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Users of the data should acknowledge the original authors of the
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