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Information card for entry 4066141
Preview
| Coordinates | 4066141.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H66 N6 Zn2 |
|---|---|
| Calculated formula | C38 H66 N6 Zn2 |
| SMILES | C(C)[Zn]12[N](c3ccc(cc3)C(C)(C)C)(C(=[N]2C(C)C)NC(C)C)[Zn]2(CC)[N]1(C(=[N]2C(C)C)NC(C)C)c1ccc(cc1)C(C)(C)C |
| Title of publication | Simple, Versatile, and Efficient Catalysts for Guanylation of Amines |
| Authors of publication | Alonso-Moreno, Carlos; Carrillo-Hermosilla, Fernando; Garcés, Andrés; Otero, Antonio; López-Solera, Isabel; Rodríguez, Ana M.; Antiñolo, Antonio |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 12 |
| Pages of publication | 2789 |
| a | 12.392 ± 0.004 Å |
| b | 9.546 ± 0.003 Å |
| c | 17.778 ± 0.005 Å |
| α | 90° |
| β | 96.214 ± 0.007° |
| γ | 90° |
| Cell volume | 2090.7 ± 1.1 Å3 |
| Cell temperature | 230 ± 2 K |
| Ambient diffraction temperature | 230 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0666 |
| Residual factor for significantly intense reflections | 0.0448 |
| Weighted residual factors for significantly intense reflections | 0.1063 |
| Weighted residual factors for all reflections included in the refinement | 0.1195 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178553 (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 4/06/61. |
4066141.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4066141.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4066141.cif |
| 33804 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4066140, 4066141 via cif-deposit CGI script. |
4066141.cif |
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Users of the data should acknowledge the original authors of the
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