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Information card for entry 4065368
Preview
| Coordinates | 4065368.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C50 H49 Cl8 Cr2 N2 O4 |
|---|---|
| Calculated formula | C50 H49 Cl8 Cr2 N2 O4 |
| SMILES | C12c3cccc4c3c(ccc4)[C@@]31[C@]14C(c5cccc6c5c1ccc6)=[N](c1c(cccc1C)C)[Cr]1([Cl][Cr](Cl)([N]=2c2c(cccc2C)C)([O]31)(O4)[O]1CCCC1)(Cl)(Cl)[O]1CCCC1.C(Cl)Cl.C(Cl)Cl.C12c3cccc4c3c(ccc4)[C@]31[C@@]14C(c5cccc6c5c1ccc6)=[N](c1c(cccc1C)C)[Cr]1([Cl][Cr](Cl)([N]=2c2c(cccc2C)C)([O]31)(O4)[O]1CCCC1)(Cl)(Cl)[O]1CCCC1.C(Cl)Cl.C(Cl)Cl |
| Title of publication | Chromium Complexes with Acenaphthene Imine Derivative Ligands Synthesis and Catalysis on Diene Polymerization |
| Authors of publication | Gao, Bo; Gao, Wei; Wu, Qiaolin; Luo, Xuyang; Zhang, Jingshun; Su, Qing; Mu, Ying |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 20 |
| Pages of publication | 5480 |
| a | 12.098 ± 0.0005 Å |
| b | 13.5994 ± 0.0006 Å |
| c | 15.5225 ± 0.0007 Å |
| α | 98.197 ± 0.001° |
| β | 99.215 ± 0.001° |
| γ | 97.544 ± 0.001° |
| Cell volume | 2463.89 ± 0.19 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1163 |
| Residual factor for significantly intense reflections | 0.0915 |
| Weighted residual factors for significantly intense reflections | 0.236 |
| Weighted residual factors for all reflections included in the refinement | 0.2603 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178546 (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 4/06/53. |
4065368.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4065368.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4065368.cif |
| 33259 | 2012-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4065365, 4065366, 4065367, 4065368 via cif-deposit CGI script. |
4065368.cif |
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