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Information card for entry 4063329
Preview
| Coordinates | 4063329.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H34 Cl N Si2 Zr |
|---|---|
| Calculated formula | C21 H34 Cl N Si2 Zr |
| SMILES | [Zr]123456789(Cl)(N([Si]([c]%105[cH]2[cH]4[c]1([cH]3%10)[Si](C)(CC=C)C)(C)C)C(C)(C)C)[cH]1[cH]9[cH]8[cH]7[cH]61 |
| Title of publication | [(Allylsilyl)(η-amidosilyl)-η5-cyclopentadienyl] Group 4 Metal Complexes: Synthesis, Reactivity, and Olefin Polymerization |
| Authors of publication | Cristina Ramos; Pascual Royo; Maurizio Lanfranchi; Maria A. Pellinghelli; Antonio Tiripicchio |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Pages of publication | 445 - 454 |
| a | 25.8 ± 0.012 Å |
| b | 11.597 ± 0.008 Å |
| c | 20.893 ± 0.01 Å |
| α | 90° |
| β | 128.79 ± 0.02° |
| γ | 90° |
| Cell volume | 4873 ± 5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.077 |
| Residual factor for significantly intense reflections | 0.0334 |
| Weighted residual factors for significantly intense reflections | 0.0707 |
| Weighted residual factors for all reflections included in the refinement | 0.0807 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.913 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178528 (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 4/06/33. |
4063329.cif |
| 120119 | 2014-07-12 | Adding DOIs for range 4/06 structures | 4063329.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4063329.cif |
| 31985 | 2012-01-04 | cif/ Canging data item '_diffrn_standards_decay_% none' to '_diffrn_standards_decay_% 0'. |
4063329.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4063329.cif |
| 853 | 2009-11-16 | cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion. |
4063329.cif |
| 38 | 2008-01-28 | Adding CIF files from the xyz-extraction/deposit/deposition-2008.01.28/cif/ directory. (Chemistry_Letters-2005-issues10-12 and Organometallics-2006-2007-issue2 ) |
4063329.cif |
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