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Information card for entry 4113236
Preview
| Coordinates | 4113236.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (1+An)(OTf)4 |
|---|---|
| Formula | C114 H82 Au4 F12 N4 O12 P4 S4 |
| Calculated formula | C114 H82 Au4 F12 N4 O12 P4 S4 |
| SMILES | c1cc2cc[n]1[Au][P](c1c3ccccc3c([P]([Au][n]3ccc(c4cc[n](cc4)[Au][P](c4c5ccccc5c([P]([Au][n]5ccc2cc5)(c2ccccc2)c2ccccc2)c2c4cccc2)(c2ccccc2)c2ccccc2)cc3)(c2ccccc2)c2ccccc2)c2c1cccc2)(c1ccccc1)c1ccccc1.FC(F)(S(=O)(=O)[O-])F.c12ccccc1cc1ccccc1c2.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-] |
| Title of publication | Self-Assembly and Molecular Recognition of a Luminescent Gold Rectangle |
| Authors of publication | Ronger Lin; John H. K. Yip; Ke Zhang; Lip Lin Koh; Kwok-Yin Wong; Kam Piu Ho |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2004 |
| Journal volume | 126 |
| Pages of publication | 15852 - 15869 |
| a | 28.309 ± 0.0013 Å |
| b | 24.2881 ± 0.0011 Å |
| c | 10.6225 ± 0.0005 Å |
| α | 90° |
| β | 95.253 ± 0.001° |
| γ | 90° |
| Cell volume | 7273.1 ± 0.6 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.0945 |
| Residual factor for significantly intense reflections | 0.0659 |
| Weighted residual factors for significantly intense reflections | 0.2158 |
| Weighted residual factors for all reflections included in the refinement | 0.2375 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178903 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/32. |
4113236.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4113236.cif |
| 65659 | 2012-09-06 | cif/ Adding structures of 4113236 via cif-deposit CGI script. |
4113236.cif |
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Users of the data should acknowledge the original authors of the
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