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Information card for entry 4069378
Preview
| Coordinates | 4069378.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1,2-Bis{bis[bis(trimethylsilyl)methyl]isopropylsilyl}- 3,5,8-triphenyl-2,6,7-triaza-1,4-disila- bicyclo[2.2.2]oct-2,5,7-triene |
|---|---|
| Formula | C65.5 H117 N3 Si12 |
| Calculated formula | C65.5 H117 N3 Si12 |
| Title of publication | Reactivity of the Disilyne RSiSiR (R = SiiPr[CH(SiMe3)2]2) toward Nitriles: Unexpected Formation of Triaza-1,4-disilabicyclo[2.2.2]octa-2,5,7-triene Derivatives |
| Authors of publication | Takeuchi, Katsuhiko; Ichinohe, Masaaki; Sekiguchi, Akira; Guo, Jing-Dong; Nagase, Shigeru |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 9 |
| Pages of publication | 2658 |
| a | 11.937 ± 0.0006 Å |
| b | 18.268 ± 0.0009 Å |
| c | 20.038 ± 0.0007 Å |
| α | 67.498 ± 0.002° |
| β | 79.296 ± 0.003° |
| γ | 75.67 ± 0.002° |
| Cell volume | 3891 ± 0.3 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0847 |
| Residual factor for significantly intense reflections | 0.0474 |
| Weighted residual factors for significantly intense reflections | 0.1116 |
| Weighted residual factors for all reflections included in the refinement | 0.1222 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.888 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
4069378.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
4069378.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4069378.cif |
| 40270 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4069378 via cif-deposit CGI script. |
4069378.cif |
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