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Information card for entry 4067284
Preview
| Coordinates | 4067284.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H40 Cl Cu N2 O4 |
|---|---|
| Calculated formula | C31 H40 Cl Cu N2 O4 |
| SMILES | c1(c(cc(cc1C(C)C)C(=O)OC)C(C)C)N1C=CN(c2c(cc(cc2C(C)C)C(=O)OC)C(C)C)C1=[Cu]Cl |
| Title of publication | Cu2O: A Versatile Reagent for Base-Free Direct Synthesis of NHC-Copper Complexes and Decoration of 3D-MOF with Coordinatively Unsaturated NHC-Copper Species |
| Authors of publication | Chun, Jiseul; Lee, Han Sol; Jung, Il Gu; Lee, Soon Won; Kim, Hae Jin; Son, Seung Uk |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 7 |
| Pages of publication | 1518 |
| a | 15.848 ± 0.004 Å |
| b | 9.503 ± 0.002 Å |
| c | 21.959 ± 0.004 Å |
| α | 90° |
| β | 106.577 ± 0.006° |
| γ | 90° |
| Cell volume | 3169.7 ± 1.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1244 |
| Residual factor for significantly intense reflections | 0.0557 |
| Weighted residual factors for significantly intense reflections | 0.1235 |
| Weighted residual factors for all reflections included in the refinement | 0.1509 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178563 (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 4/06/72. |
4067284.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067284.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4067284.cif |
| 34147 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4067282, 4067283, 4067284 via cif-deposit CGI script. |
4067284.cif |
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