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Information card for entry 4331938
Preview
| Coordinates | 4331938.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H32 Cl N5 O6 |
|---|---|
| Calculated formula | C20 H32 Cl N5 O6 |
| SMILES | [Cl-].O/N=C(/C([NH3+])(C)C)c1ccccc1.O.O=N(=O)[O-].O/N=C(C([NH3+])(C)C)\c1ccccc1 |
| Title of publication | Kinetic and Thermodynamic Aspects of the Regioselective Addition of Bifunctional Hydroxylaminooxime-type HO-Nucleophiles to Pt-Complexed Nitriles |
| Authors of publication | Luzyanin, Konstantin V.; Kukushkin, Vadim Yu.; Kuznetsov, Maxim L.; Ryabov, Alexander D.; Galanski, Markus; Haukka, Matti; Tretyakov, Eugene V.; Ovcharenko, Victor I.; Kopylovich, Maximilian N.; Pombeiro, Armando J. L. |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2006 |
| Journal volume | 45 |
| Journal issue | 5 |
| Pages of publication | 2296 - 2306 |
| a | 23.9451 ± 0.0011 Å |
| b | 7.4305 ± 0.0006 Å |
| c | 27.368 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4869.4 ± 0.6 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.097 |
| Residual factor for significantly intense reflections | 0.0558 |
| Weighted residual factors for significantly intense reflections | 0.1164 |
| Weighted residual factors for all reflections included in the refinement | 0.1357 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4331938.cif |
| 176810 | 2016-02-21 | cif/4 Fixing Z values and formulae |
4331938.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4331938.cif |
| 97988 | 2014-01-29 | cif/ Adding structures of 4331934, 4331935, 4331936, 4331937, 4331938 via cif-deposit CGI script. |
4331938.cif |
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Users of the data should acknowledge the original authors of the
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