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Information card for entry 4071962
Preview
| Coordinates | 4071962.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H38 N2 Ni O4 |
|---|---|
| Calculated formula | C31 H38 N2 Ni O4 |
| SMILES | [Ni]12([O]=C(C=C(O2)C)C)(OC(=CC(=[O]1)C)C)=C1N(c2c(cc(cc2C)C)C)C=CN1c1c(cc(cc1C)C)C |
| Title of publication | An Unsaturated Nickel(0) NHC Catalyst: Facile Preparation and Structure of Ni(0)(NHC)2, Featuring a Reduction Process from Ni(II)(NHC)(acac)2 |
| Authors of publication | Matsubara, Kouki; Miyazaki, Satoshi; Koga, Yuji; Nibu, Yoshinori; Hashimura, Takaaki; Matsumoto, Taisuke |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 22 |
| Pages of publication | 6020 |
| a | 15.869 ± 0.008 Å |
| b | 7.748 ± 0.004 Å |
| c | 24.023 ± 0.012 Å |
| α | 90° |
| β | 98.136 ± 0.002° |
| γ | 90° |
| Cell volume | 2924 ± 3 Å3 |
| Cell temperature | 123.1 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.1186 |
| Residual factor for significantly intense reflections | 0.0698 |
| Weighted residual factors for significantly intense reflections | 0.175 |
| Weighted residual factors for all reflections included in the refinement | 0.2029 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178608 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/19. |
4071962.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4071962.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071962.cif |
| 44148 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071962, 4071963 via cif-deposit CGI script. |
4071962.cif |
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Users of the data should acknowledge the original authors of the
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