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Information card for entry 4081374
Preview
| Coordinates | 4081374.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C113 H99 Ag2 Au2 Cl2 N3 O12 P6 |
|---|---|
| Calculated formula | C113 H99 Ag2 Au2 Cl2 N3 O12 P6 |
| SMILES | [C]1(#Cc2ccc(cc2)C=O)[Ag]2[P](c3nc([P]([Ag]([C](#Cc4ccc(cc4)C=O)[Au]1)[P](c1nc([P]([Au][P](c4ccccc4)(c4nc([P]2(c2ccccc2)c2ccccc2)ccc4)c2ccccc2)(c2ccccc2)c2ccccc2)ccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)ccc3)(c1ccccc1)c1ccccc1.CCOCC.Cl(=O)(=O)(=O)[O-].CCOCC.Cl(=O)(=O)(=O)[O-] |
| Title of publication | New Luminescent Ag2Au2Heteronuclear Alkynyl–Phosphine Complexes and Recognition of Homocysteine and Cysteine |
| Authors of publication | Jiang, Yi; Wang, Yong-Tao; Ma, Zheng-Gen; Li, Zhi-Hong; Wei, Qiao-Hua; Chen, Guo-Nan |
| Journal of publication | Organometallics |
| Year of publication | 2013 |
| Journal volume | 32 |
| Journal issue | 17 |
| Pages of publication | 4919 |
| a | 26.039 ± 0.005 Å |
| b | 15.445 ± 0.003 Å |
| c | 26.79 ± 0.005 Å |
| α | 90° |
| β | 100.79 ± 0.03° |
| γ | 90° |
| Cell volume | 10584 ± 4 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0235 |
| Residual factor for significantly intense reflections | 0.0218 |
| Weighted residual factors for significantly intense reflections | 0.0575 |
| Weighted residual factors for all reflections included in the refinement | 0.0581 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4081374.cif |
| 178702 | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/13. |
4081374.cif |
| 126004 | 2014-10-30 | cod/ (saulius@kolibris) Adding full bibliographies to the recently deposited structures from RSS feeds. |
4081374.cif |
| 89216 | 2013-10-09 | cif/ Adding structures of 4081372, 4081373, 4081374 via cif-deposit CGI script. |
4081374.cif |
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