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Information card for entry 4073557
Preview
| Coordinates | 4073557.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H16 Cl2 F6 Zr |
|---|---|
| Calculated formula | C16 H16 Cl2 F6 Zr |
| SMILES | [cH]12[cH]3[cH]4[cH]5[c]1([Zr]16782345([cH]2[cH]1[cH]6[cH]7[c]82CCC(F)(F)F)(Cl)Cl)CCC(F)(F)F |
| Title of publication | Synthesis of 3,3,3-Trifluoropropyl Substituted Cyclopentadienes and Their Zirconocene Derivatives: Catalytic Applications in the Polymerization of Ethylene |
| Authors of publication | Steffen, Andreas; Hagemeister, Timo; Braun, Thomas; Jutzi, Peter; Neumann, Beate; Stammler, Hans-Georg |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 22 |
| Pages of publication | 5289 |
| a | 20.5177 ± 0.0014 Å |
| b | 6.6645 ± 0.0007 Å |
| c | 14.6427 ± 0.0014 Å |
| α | 90° |
| β | 114.193 ± 0.006° |
| γ | 90° |
| Cell volume | 1826.4 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0205 |
| Residual factor for significantly intense reflections | 0.0177 |
| Weighted residual factors for significantly intense reflections | 0.0421 |
| Weighted residual factors for all reflections included in the refinement | 0.0433 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178624 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/35. |
4073557.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' |
4073557.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4073557.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4073557.cif |
| 46416 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4073556, 4073557 via cif-deposit CGI script. |
4073557.cif |
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Users of the data should acknowledge the original authors of the
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