Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4065367
Preview
| Coordinates | 4065367.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C76 H88 Cl4 Cr2 N4 O |
|---|---|
| Calculated formula | C76 H88 Cl4 Cr2 N4 O |
| SMILES | C12C(c3c4c1cccc4ccc3)=[N](c1c(cccc1C(C)C)C(C)C)[Cr]13(Cl)([Cl][Cr]4([Cl]1)([Cl]3)([N](=C1C(c3cccc5c3c1ccc5)=[N]4c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[O]1CCCC1)[N]=2c1c(cccc1C(C)C)C(C)C |
| 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 | 12.0344 ± 0.0011 Å |
| b | 36.717 ± 0.003 Å |
| c | 19.4544 ± 0.0018 Å |
| α | 90° |
| β | 105.749 ± 0.002° |
| γ | 90° |
| Cell volume | 8273.6 ± 1.3 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1389 |
| Residual factor for significantly intense reflections | 0.0895 |
| Weighted residual factors for significantly intense reflections | 0.2845 |
| Weighted residual factors for all reflections included in the refinement | 0.3255 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| 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. |
4065367.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4065367.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4065367.cif |
| 33259 | 2012-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4065365, 4065366, 4065367, 4065368 via cif-deposit CGI script. |
4065367.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.