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Information card for entry 7018170
Preview
| Coordinates | 7018170.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C64 H52 Au3 B Cu F4 O3 P3 |
|---|---|
| Calculated formula | C64 H52 Au3 B Cu F4 O3 P3 |
| SMILES | [B](F)(F)(F)[F-].C12[P]([Au][C]3#[C](c4ccc(cc4)OC)[Cu]345([C](#[C]4c3ccc(cc3)OC)[Au][P]1(c1ccccc1)c1ccccc1)[C](#[C]5c1ccc(cc1)OC)[Au][P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Luminescent heterometallic gold-copper alkynyl complexes stabilized by tridentate phosphine. |
| Authors of publication | Shakirova, Julia R.; Grachova, Elena V.; Gurzhiy, Vladislav V.; Koshevoy, Igor O.; Melnikov, Alexei S.; Sizova, Olga V.; Tunik, Sergey P.; Laguna, Antonio |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 10 |
| Pages of publication | 2941 - 2949 |
| a | 17.1541 ± 0.0008 Å |
| b | 17.1541 ± 0.0008 Å |
| c | 16.764 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 4272.1 ± 0.3 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 146 |
| Hermann-Mauguin space group symbol | R 3 :H |
| Hall space group symbol | R 3 |
| Residual factor for all reflections | 0.0319 |
| Residual factor for significantly intense reflections | 0.0217 |
| Weighted residual factors for significantly intense reflections | 0.0395 |
| Weighted residual factors for all reflections included in the refinement | 0.0412 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.857 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301847 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/01/ Each referenced PubChem compound corresponds to the full crystal structure. |
7018170.cif |
| 179885 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/81. |
7018170.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7018170.cif |
| 37672 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 7018169, 7018170, 7018171 via cif-deposit CGI script. |
7018170.cif |
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