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Information card for entry 4066418
Preview
| Coordinates | 4066418.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H52 Au B Cl2 F4 N4 |
|---|---|
| Calculated formula | C36 H52 Au B Cl2 F4 N4 |
| SMILES | [Au](=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)=C1N(C=CN1C)CCCC.[B](F)(F)(F)[F-].C(Cl)Cl |
| Title of publication | Expeditious Synthesis of [Au(NHC)(L)]+(NHC = N-Heterocyclic Carbene; L = Phosphine or NHC) Complexes† |
| Authors of publication | Gaillard, Sylvain; Nun, Pierrick; Slawin, Alexandra M. Z.; Nolan, Steven P. |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 21 |
| Pages of publication | 5402 |
| a | 14.979 ± 0.002 Å |
| b | 15.612 ± 0.003 Å |
| c | 17.1 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3998.9 ± 1.2 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0417 |
| Residual factor for significantly intense reflections | 0.0401 |
| Weighted residual factors for significantly intense reflections | 0.0902 |
| Weighted residual factors for all reflections included in the refinement | 0.0917 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178556 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/64. |
4066418.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4066418.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4066418.cif |
| 33889 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4066418, 4066419, 4066420, 4066421, 4066422, 4066423, 4066424, 4066425, 4066426, 4066427, 4066428 via cif-deposit CGI script. |
4066418.cif |
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