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Information card for entry 4078016
Preview
| Coordinates | 4078016.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H44 Au2 N14 O2 |
|---|---|
| Calculated formula | C34 H44 Au2 N14 O2 |
| SMILES | C1(=[Au]=C2N(C=CN2c2nc(nc([O-])n2)N2C3N(C=C2)C(C)(C)C)C(C)(C)C)N(C(C)(C)C)C=CN1c1nc(nc([O-])n1)N1C(N(C=C1)C(C)(C)C)=[Au]=3 |
| Title of publication | Triazinone-Bridged Neutral Dinuclear Gold(I)-NHC Complex |
| Authors of publication | Poethig, Alexander; Strassner, Thomas |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 8 |
| Pages of publication | 3431 |
| a | 11.592 ± 0.002 Å |
| b | 16.191 ± 0.003 Å |
| c | 20.505 ± 0.004 Å |
| α | 90° |
| β | 92.07 ± 0.03° |
| γ | 90° |
| Cell volume | 3846 ± 1.2 Å3 |
| Cell temperature | 198 K |
| Ambient diffraction temperature | 198 K |
| Number of distinct elements | 5 |
| 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 | 0.0558 |
| Residual factor for significantly intense reflections | 0.0365 |
| Weighted residual factors for significantly intense reflections | 0.0686 |
| Weighted residual factors for all reflections included in the refinement | 0.0723 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178669 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/80. |
4078016.cif |
| 132410 | 2015-02-25 | cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ | perl -ne 'print $1."\n" if /\b(\d{7})\s*$/' \ | codid2file \ | xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s*? ( \n ; \s*? \n ; | '\'' \s* '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse' |
4078016.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4078016.cif |
| 57669 | 2012-05-18 | cif/ Adding structures of 4078016 via cif-deposit CGI script. |
4078016.cif |
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Users of the data should acknowledge the original authors of the
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