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Information card for entry 7006184
Preview
| Coordinates | 7006184.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H22 N18 O13 Pt |
|---|---|
| Calculated formula | C18 H22 N18 O13 Pt |
| SMILES | [Pt]([n]1c2nc[nH]c(c2[nH+]c1)N)([n]1c2nc[nH]c(c2[nH+]c1)N)([n]1ccncc1)[n]1ccncc1.O.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-] |
| Title of publication | Synthesis and NMR characterization of the cis and trans isomers of [Pt(II)(N9-adeH)2(pz)2] and X-ray crystallography of the trans isomer. |
| Authors of publication | Klika, Karel D.; Kivelä, Henri; Ovcharenko, Vladimir V.; Nieminen, Ville; Sillanpää, Reijo; Arpalahti, Jorma |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2007 |
| Journal issue | 35 |
| Pages of publication | 3966 - 3970 |
| a | 10.8863 ± 0.0002 Å |
| b | 11.0417 ± 0.0003 Å |
| c | 24.5202 ± 0.0007 Å |
| α | 90° |
| β | 95.512 ± 0.002° |
| γ | 90° |
| Cell volume | 2933.78 ± 0.13 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0457 |
| Residual factor for significantly intense reflections | 0.0348 |
| Weighted residual factors for significantly intense reflections | 0.0643 |
| Weighted residual factors for all reflections included in the refinement | 0.0686 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301846 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
7006184.cif |
| 179765 | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/61. |
7006184.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7006184.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7006184.cif |
| 1186 | 2010-06-03 | Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing. | 7006184.cif |
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