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Information card for entry 1505164
Preview
| Coordinates | 1505164.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Ni(II)_bis(methoxybenzylphenyl_benzimidazole) |
|---|---|
| Chemical name | Bis[1-(2-methoxybenzyl)-2-(2-methoxyphenyl)-1H-benzimidazole]nickel(II)dibromide |
| Formula | C44 H40 Br2 N4 Ni O4 |
| Calculated formula | C44 H40 Br2 N4 Ni O4 |
| SMILES | [Ni](Br)(Br)([n]1c2ccccc2n(c1c1ccccc1OC)Cc1ccccc1OC)[n]1c2ccccc2n(c1c1ccccc1OC)Cc1ccccc1OC |
| Title of publication | Efficient Route for Cyclic Olefin Polymerization: Nonchelated Monodentate Benzimidazole Nickel(II) Complex Catalysts for Vinyl Polymerization of Norbornene |
| Authors of publication | Tarte, Naresh H.; Cho, Hyun Yong; Woo, Seong Ihl |
| Journal of publication | Macromolecules |
| Year of publication | 2007 |
| Journal volume | 40 |
| Journal issue | 23 |
| Pages of publication | 8162 |
| a | 14.27 ± 0.003 Å |
| b | 12.986 ± 0.002 Å |
| c | 21.712 ± 0.003 Å |
| α | 90° |
| β | 102.302 ± 0.01° |
| γ | 90° |
| Cell volume | 3931.1 ± 1.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.185 |
| Residual factor for significantly intense reflections | 0.0669 |
| Weighted residual factors for significantly intense reflections | 0.1255 |
| Weighted residual factors for all reflections included in the refinement | 0.1607 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.983 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1505164.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
1505164.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505164.cif |
| 45384 | 2012-03-20 | ../uploads/cif-deposit/cod/cif Adding structures of 1505164 via cif-deposit CGI script. |
1505164.cif |
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