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Information card for entry 4001512
Preview
| Coordinates | 4001512.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C84 H154 O25 Si16 |
|---|---|
| Calculated formula | C84 H154 O25 Si16 |
| Title of publication | Structural Characterization of POSS Siloxane Dimer and Trimer |
| Authors of publication | Anderson, Stanley E.; Mitchell, Connie; Haddad, Timothy S.; Vij, Ashwani; Schwab, Joseph J.; Bowers, Michael T. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2006 |
| Journal volume | 18 |
| Journal issue | 6 |
| Pages of publication | 1490 |
| a | 16.0442 ± 0.001 Å |
| b | 18.9546 ± 0.0012 Å |
| c | 20.9652 ± 0.0014 Å |
| α | 99.598 ± 0.002° |
| β | 111.061 ± 0.001° |
| γ | 110.305 ± 0.001° |
| Cell volume | 5261.7 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0459 |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for significantly intense reflections | 0.1059 |
| Weighted residual factors for all reflections included in the refinement | 0.1112 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178377 (current) | 2016-03-21 | cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00. |
4001512.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 {}' |
4001512.cif |
| 120073 | 2014-07-11 | Adding DOIs to range 4/00 structures. | 4001512.cif |
| 47584 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4001512 via cif-deposit CGI script. |
4001512.cif |
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Users of the data should acknowledge the original authors of the
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