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Information card for entry 4064548
Preview
| Coordinates | 4064548.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H44 N2 Zr |
|---|---|
| Calculated formula | C39 H44 N2 Zr |
| SMILES | [Zr]12([n]3c(cccc3C(N1c1c(cccc1C(C)C)C(C)C)c1ccccc1C(C)C)c1c3ccccc3ccc21)(C)C |
| Title of publication | Pyridylamido Hafnium and Zirconium Complexes: Synthesis, Dynamic Behavior, and Ethylene/1-Octene and Propylene Polymerization Reactions |
| Authors of publication | Frazier, Kevin A.; Froese, Robert D.; He, Yiyong; Klosin, Jerzy; Theriault, Curt N.; Vosejpka, Paul C.; Zhou, Zhe; Abboud, Khalil A. |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 12 |
| Pages of publication | 3318 |
| a | 41.407 ± 0.002 Å |
| b | 9.6765 ± 0.0006 Å |
| c | 17.225 ± 0.001 Å |
| α | 90° |
| β | 106.067 ± 0.001° |
| γ | 90° |
| Cell volume | 6632 ± 0.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0657 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for significantly intense reflections | 0.0854 |
| Weighted residual factors for all reflections included in the refinement | 0.0932 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.924 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoK\α |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178539 (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 4/06/45. |
4064548.cif |
| 132410 | 2015-02-25 | cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ | perl -ne 'print $1."\n" if /\b(\d{7})\s*$/' \ | codid2file \ | xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s*? ( \n ; \s*? \n ; | '\'' \s* '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse' |
4064548.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064548.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064548.cif |
| 32941 | 2012-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4064546, 4064547, 4064548 via cif-deposit CGI script. |
4064548.cif |
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Users of the data should acknowledge the original authors of the
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