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Information card for entry 4332765
Preview
| Coordinates | 4332765.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H44 Au2 Cl6 Fe N4 O6 P2 S2 |
|---|---|
| Calculated formula | C52 H44 Au2 Cl6 Fe N4 O6 P2 S2 |
| SMILES | [Au]([P](c1ccccc1)([c]12[Fe]3456789([c]%10([P]([Au]S/C(=N\c%11ccc(cc%11)N(=O)=O)OC)(c%11ccccc%11)c%11ccccc%11)[cH]4[cH]6[cH]8[cH]3%10)[cH]2[cH]5[cH]7[cH]19)c1ccccc1)SC(=N\c1ccc(cc1)N(=O)=O)/OC.ClC(Cl)Cl.C(Cl)(Cl)Cl |
| Title of publication | Luminescent Phosphine Gold(I) Thiolates: Correlation between Crystal Structure and Photoluminescent Properties in [R3PAu{SC(OMe)NC6H4NO2-4}] (R = Et, Cy, Ph) and [(Ph2P-R-PPh2){AuSC(OMe)NC6H4NO2-4}2] (R = CH2, (CH2)2, (CH2)3, (CH2)4, Fc) |
| Authors of publication | Ho, Soo Yei; Cheng, Eddie Chung-Chin; Tiekink, Edward R. T.; Yam, Vivian Wing-Wah |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2006 |
| Journal volume | 45 |
| Journal issue | 20 |
| Pages of publication | 8165 - 8174 |
| a | 23.1341 ± 0.0011 Å |
| b | 12.1157 ± 0.0006 Å |
| c | 21.9265 ± 0.001 Å |
| α | 90° |
| β | 109.478 ± 0.001° |
| γ | 90° |
| Cell volume | 5794 ± 0.5 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.048 |
| Residual factor for significantly intense reflections | 0.031 |
| Weighted residual factors for significantly intense reflections | 0.07 |
| Weighted residual factors for all reflections included in the refinement | 0.087 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179430 (current) | 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 4/33/27. |
4332765.cif |
| 98536 | 2014-01-30 | cif/ Adding structures of 4332765 via cif-deposit CGI script. |
4332765.cif |
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