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Information card for entry 4065044
Preview
| Coordinates | 4065044.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C53.5 H41 B Cl2 F15 N3 Zr |
|---|---|
| Calculated formula | C53.5 H41 B Cl2 F15 N3 Zr |
| Title of publication | Synthesis and Structure of Bifunctional Zirconocene/Borane Complexes and Their Activation for Ethylene Polymerization |
| Authors of publication | Rojas, Rene S.; Peoples, Brian C.; Cabrera, Alan R.; Valderrama, Mauricio; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard; Wiegand, Thomas; Eckert, Hellmut |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 23 |
| Pages of publication | 6372 |
| a | 11.6047 ± 0.0002 Å |
| b | 13.4178 ± 0.0002 Å |
| c | 18.6889 ± 0.0004 Å |
| α | 106.894 ± 0.001° |
| β | 98.566 ± 0.001° |
| γ | 105.265 ± 0.001° |
| Cell volume | 2604.86 ± 0.09 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0715 |
| Residual factor for significantly intense reflections | 0.0599 |
| Weighted residual factors for significantly intense reflections | 0.1415 |
| Weighted residual factors for all reflections included in the refinement | 0.1529 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4065044.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4065044.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4065044.cif |
| 33141 | 2012-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4065043, 4065044, 4065045, 4065046 via cif-deposit CGI script. |
4065044.cif |
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Users of the data should acknowledge the original authors of the
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