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Information card for entry 7014044
Preview
| Coordinates | 7014044.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Zr-metallorganic |
|---|---|
| Chemical name | Zr-metallorganic |
| Formula | C22 H26 Cl2 Si2 Zr |
| Calculated formula | C22 H26 Cl2 Si2 Zr |
| SMILES | [Zr]12345678(Cl)(Cl)([c]9%10[c]1([cH]2[c]3([cH]49)[SiH](C)C)cccc%10)[c]12cccc[c]51[cH]6[c]7([cH]82)[SiH](C)C |
| Title of publication | Synthesis, structure, and ethene polymerisation catalysis of 1- or 2-silyl substituted bis[indenyl]zirconium(IV) dichlorides. |
| Authors of publication | Möller, Andreas C; Heyn, Richard H.; Blom, Richard; Swang, Ole; Görbitz, Carl Henrik; Kopf, Jürgen |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2004 |
| Journal issue | 10 |
| Pages of publication | 1578 - 1589 |
| a | 10.6354 ± 0.0001 Å |
| b | 13.455 ± 0.0002 Å |
| c | 16.3064 ± 0.0001 Å |
| α | 90° |
| β | 98.783 ± 0.001° |
| γ | 90° |
| Cell volume | 2306.07 ± 0.04 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0703 |
| Residual factor for significantly intense reflections | 0.0371 |
| Weighted residual factors for significantly intense reflections | 0.0792 |
| Weighted residual factors for all reflections included in the refinement | 0.0917 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179844 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/40. |
7014044.cif |
| 129439 | 2015-01-07 | cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ | codid2file \ | xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'|\\?|none)/_exptl_crystal_density_method ./i" |
7014044.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7014044.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7014044.cif |
| 31985 | 2012-01-04 | cif/ Canging data item '_diffrn_standards_decay_% none' to '_diffrn_standards_decay_% 0'. |
7014044.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7014044.cif |
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