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Information card for entry 1514974
Preview
Coordinates | 1514974.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C90 H84 Au3 B3 F12 N18 O6 |
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Calculated formula | C90 H84 Au3 B3 F12 N18 O6 |
SMILES | [Au]1=C2N3C(=NN2c2cc(N4N=C5N([C@H](COC5)Cc5ccccc5)C4=[Au]=C4N5C(=NN4c4cc(N6N=C7N([C@H](COC7)Cc7ccccc7)C6=[Au]=C6N7C(=NN6c6cc(N8N=C9N(C=18)[C@H](COC9)Cc1ccccc1)ccc6)COC[C@@H]7Cc1ccccc1)ccc4)COC[C@@H]5Cc1ccccc1)ccc2)COC[C@@H]3Cc1ccccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-] |
Title of publication | Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes |
Authors of publication | Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong |
Journal of publication | Chemical Science |
Year of publication | 2012 |
Journal volume | 3 |
Journal issue | 2 |
Pages of publication | 359 |
a | 17.4164 ± 0.0004 Å |
b | 17.4164 ± 0.0004 Å |
c | 18.8187 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 4943.53 ± 0.19 Å3 |
Cell temperature | 294.15 K |
Ambient diffraction temperature | 294.15 K |
Number of distinct elements | 7 |
Space group number | 173 |
Hermann-Mauguin space group symbol | P 63 |
Hall space group symbol | P 6c |
Residual factor for all reflections | 0.0556 |
Residual factor for significantly intense reflections | 0.0363 |
Weighted residual factors for significantly intense reflections | 0.0963 |
Weighted residual factors for all reflections included in the refinement | 0.1002 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.959 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1514974.cif |
110831 | 2014-04-20 | cif/ Adding structures of 1514969, 1514970, 1514971, 1514972, 1514973, 1514974, 1514975 via cif-deposit CGI script. |
1514974.cif |
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Users of the data should acknowledge the original authors of the
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