Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4083313
Preview
| Coordinates | 4083313.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C56 H54 N2 Si2 |
|---|---|
| Calculated formula | C56 H54 N2 Si2 |
| Title of publication | N‒P Bond Cleavage Induced Ring Formation of Cyclosilazanes from Reactions of Aryl(phosphanyl)aminotrichlorosilanes with Lithium Alkynyls |
| Authors of publication | Wang, Jinjin; Liu, Rui; Ruan, Wenqing; Li, Yan; Mondal, Kartik Chandra; Roesky, Herbert W.; Zhu, Hongping |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 11 |
| Pages of publication | 2696 |
| a | 24.046 ± 0.003 Å |
| b | 19.8028 ± 0.0016 Å |
| c | 21.458 ± 0.003 Å |
| α | 90° |
| β | 108.792 ± 0.014° |
| γ | 90° |
| Cell volume | 9673 ± 2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1012 |
| Residual factor for significantly intense reflections | 0.0592 |
| Weighted residual factors for significantly intense reflections | 0.1236 |
| Weighted residual factors for all reflections included in the refinement | 0.139 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178722 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/33. |
4083313.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 {}' |
4083313.cif |
| 119267 | 2014-07-05 | cif/ Updating files of 4083311, 4083312, 4083313, 4083314, 4083315, 4083316, 4083317, 4083318 Original log message: Adding full bibliography for 4083311--4083318.cif. |
4083313.cif |
| 113993 | 2014-05-20 | cif/ Adding structures of 4083311, 4083312, 4083313, 4083314, 4083315, 4083316, 4083317, 4083318 via cif-deposit CGI script. |
4083313.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.