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Information card for entry 1514740
Preview
| Coordinates | 1514740.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C71 H127 N2 Na O7 Zn2 |
|---|---|
| Calculated formula | C71 H127 N2 Na O7 Zn2 |
| SMILES | [Na]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.[Zn](c1n(c([Zn](C(C)(C)C)C(C)(C)C)[n+](c1)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(C(C)(C)C)C(C)(C)C.O1CCCC1 |
| Title of publication | Alkali-metal-mediated zincation (AMMZn) meets N-heterocyclic carbene (NHC) chemistry: Zn‒H exchange reactions and structural authentication of a dinuclear Au(i) complex with a NHC anion |
| Authors of publication | Armstrong, David R.; Baillie, Sharon E.; Blair, Victoria L.; Chabloz, Nicolas G.; Diez, Josefina; Garcia-Alvarez, Joaquin; Kennedy, Alan R.; Robertson, Stuart D.; Hevia, Eva |
| Journal of publication | Chemical Science |
| Year of publication | 2013 |
| Journal volume | 4 |
| Journal issue | 11 |
| Pages of publication | 4259 |
| a | 12.5177 ± 0.0002 Å |
| b | 33.2445 ± 0.0006 Å |
| c | 18.2146 ± 0.0003 Å |
| α | 90° |
| β | 100.694 ± 0.002° |
| γ | 90° |
| Cell volume | 7448.3 ± 0.2 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0979 |
| Residual factor for significantly intense reflections | 0.0781 |
| Weighted residual factors for significantly intense reflections | 0.1498 |
| Weighted residual factors for all reflections included in the refinement | 0.1585 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.178 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211196 (current) | 2018-09-27 | cod/ Removing the _chemical_name_common and _chemical_name_systematic data items that contained the summary chemical formula instead of the chemical name from 6249 entries. |
1514740.cif |
| 176729 | 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. |
1514740.cif |
| 110240 | 2014-04-18 | cif/ Adding structures of 1514738, 1514739, 1514740, 1514741, 1514742 via cif-deposit CGI script. |
1514740.cif |
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