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Information card for entry 4064212
Preview
| Coordinates | 4064212.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H54 N4 Ni O2 |
|---|---|
| Calculated formula | C46 H54 N4 Ni O2 |
| SMILES | c12c(cc(cc1N1C=CN(C1=[Ni]1(O2)Oc2c(cc(cc2N2C=CN(C=12)c1ccccc1)C(C)(C)C)C(C)(C)C)c1ccccc1)C(C)(C)C)C(C)(C)C |
| Title of publication | Synthesis, Structures, and Norbornene Polymerization Behavior of Bis(aryloxide-N-heterocyclic carbene) Nickel Complexes |
| Authors of publication | Kong, Yong; Cheng, Man; Ren, Hongping; Xu, Shansheng; Song, Haibin; Yang, Min; Liu, Binyuan; Wang, Baiquan |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 6 |
| Pages of publication | 1677 |
| a | 19.108 ± 0.004 Å |
| b | 17.873 ± 0.004 Å |
| c | 12.576 ± 0.003 Å |
| α | 90° |
| β | 108.4 ± 0.03° |
| γ | 90° |
| Cell volume | 4075.3 ± 1.7 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 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 | 0.0628 |
| Residual factor for significantly intense reflections | 0.0512 |
| Weighted residual factors for significantly intense reflections | 0.1236 |
| Weighted residual factors for all reflections included in the refinement | 0.1308 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178536 (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 4/06/42. |
4064212.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064212.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064212.cif |
| 32817 | 2012-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4064210, 4064211, 4064212, 4064213 via cif-deposit CGI script. |
4064212.cif |
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