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Information card for entry 8102667
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| Coordinates | 8102667.cif |
|---|
| Chemical name | Dichloro[{anilino(phenylimino)methyl}{propanimidoyl}azanide][η2- (<i>N</i>,<i>N</i>'-diphenylguanidinato)]platinum(iv) |
|---|---|
| Formula | C30 H29 Cl5 D N7 Pt |
| Calculated formula | C30 H30 Cl5 N7 Pt |
| SMILES | [Pt]12(Cl)(Cl)(N(c3ccccc3)C(Nc3ccccc3)=NC(=[NH]1)CC)[N](c1ccccc1)=C(N2c1ccccc1)N.ClC(Cl)Cl |
| Title of publication | Crystal structure of dichloro{[anilino(phenylimino)methyl](propanimidoyl)azanide}-[h2-(N,N'-diphenylguanidinato)]platinum(IV) — deuterochloroform (1:1), PtCl2(C13H12N3)(C16H17N4) · CDCl3 |
| Authors of publication | Pavel V. Gushchin; Matti Haukka; Alexander V. Gribanov; Vadim Yu. Kukushkin |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2010 |
| Journal volume | 225 |
| Journal issue | 2 |
| Pages of publication | 280 |
| a | 12.555 ± 0.0012 Å |
| b | 14.1358 ± 0.001 Å |
| c | 18.1512 ± 0.0015 Å |
| α | 90° |
| β | 100.804 ± 0.008° |
| γ | 90° |
| Cell volume | 3164.3 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.031 |
| Residual factor for significantly intense reflections | 0.019 |
| Weighted residual factors for significantly intense reflections | 0.033 |
| Weighted residual factors for all reflections included in the refinement | 0.037 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176728 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102667.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102667.cif |
| 13406 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102667 via cif-deposit CGI script. |
8102667.cif |
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Users of the data should acknowledge the original authors of the
structural data.