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Information card for entry 4060633
Preview
| Coordinates | 4060633.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H35 Br2 Cl2 N2 Ni P |
|---|---|
| Calculated formula | C35 H35 Br2 Cl2 N2 Ni P |
| SMILES | Br[Ni]12(Br)[n]3c4c(ccc3)cccc4[N]2=Cc2c([P]1(c1c(C(C)C)cccc1)c1c(cccc1)C(C)C)cccc2.ClCCl |
| Title of publication | Synthesis and Characterization of Tridentate Nickel Complexes Bearing P∧N∧N and P∧N∧P Ligands and Their Catalytic Property in Ethylene Oligomerization |
| Authors of publication | Hou, Junxian; Sun, Wen-Hua; Zhang, Shu; Ma, Hongwei; Deng, Yuan; Lu, Xiaoming |
| Journal of publication | Organometallics |
| Year of publication | 2006 |
| Journal volume | 25 |
| Journal issue | 1 |
| Pages of publication | 236 - 244 |
| a | 11.298 ± 0.002 Å |
| b | 11.879 ± 0.002 Å |
| c | 14.045 ± 0.003 Å |
| α | 91.99 ± 0.03° |
| β | 97.91 ± 0.03° |
| γ | 114.07 ± 0.03° |
| Cell volume | 1696.1 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219007 (current) | 2019-10-02 | cif/4/06/06/ Updated bibliographic information in entries 4060631-4060635. |
4060633.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
4060633.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4060633.cif |
| 5312 | 2011-01-03 | cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version. |
4060633.cif |
| 1133 | 2010-04-30 | cif/ Merging back changes between revision 1110 and 1109, essentially restoring the _refine_ls_R_factor_ref tag. The reason was double: on one hand, in one entry (4022027.cif) received duplicate tag _refine_ls_R_factor_ref; on the other hand, the _refine_ls_R_factor_ref tag is present in many new entries, there is a similar wR tag, and in the 4022027.cif case the value was *NOT* the same as in the _refine_ls_R_factor_all tag, indicating that _refine_ls_R_factor_ref might have special semantics. |
4060633.cif |
| 1110 | 2010-04-19 | Fixed 'refine_ls_R_factor_ref' to 'refine_ls_R_factor_all' from unrecognised-tag.lst |
4060633.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4060633.cif |
| 19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
4060633.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4060633.cif |
| 13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
4060633.cif |
| 1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
4060633.cif |
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