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Information card for entry 4334648
Preview
| Coordinates | 4334648.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C82 H72 Cl6 Cu2 O8 P6 Pt |
|---|---|
| Calculated formula | C82 H72 Cl6 Cu2 O8 P6 Pt |
| SMILES | C1[P](c2ccccc2)(c2ccccc2)[Cu]23[P](C[P]4([Pt]562([P]1(c1ccccc1)C[P](c1ccccc1)(c1ccccc1)[Cu]6([C]5#Cc1ccccc1)[P](C4)(c1ccccc1)c1ccccc1)[C]3#Cc1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[O-]Cl(=O)(=O)=O.C(Cl)Cl.[O-]Cl(=O)(=O)=O.C(Cl)Cl |
| Title of publication | Spectroscopic and Phosphorescent Modulation in Triphosphine-Supported PtAg2 Heterotrinuclear Alkynyl Complexes |
| Authors of publication | Li-Yi Zhang; Liang-Jin Xu; Xu Zhang; Jin-Yun Wang; Jia Li; Zhong-Ning Chen |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2013 |
| Journal volume | 52 |
| Pages of publication | 5167 - 5175 |
| a | 13.166 ± 0.002 Å |
| b | 13.206 ± 0.002 Å |
| c | 14.229 ± 0.003 Å |
| α | 113.848 ± 0.006° |
| β | 107.247 ± 0.013° |
| γ | 99.429 ± 0.01° |
| Cell volume | 2043.9 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0662 |
| Residual factor for significantly intense reflections | 0.0655 |
| Weighted residual factors for significantly intense reflections | 0.1764 |
| Weighted residual factors for all reflections included in the refinement | 0.1772 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| 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. |
4334648.cif |
| 179449 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/46. |
4334648.cif |
| 100518 | 2014-02-06 | cif/ Adding structures of 4334648 via cif-deposit CGI script. |
4334648.cif |
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Users of the data should acknowledge the original authors of the
structural data.