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Information card for entry 4113227
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| Coordinates | 4113227.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | stannaneselone |
|---|---|
| Formula | C51 H84 Se Si6 Sn |
| Calculated formula | C51 H84 Se Si6 Sn |
| Title of publication | Tin-Chalcogen Double-Bond Compounds, Stannanethione and Stannaneselone: Synthesis, Structure, and Reactivities |
| Authors of publication | Masaichi Saito; Norihiro Tokitoh; Renji Okazaki |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2004 |
| Journal volume | 126 |
| Pages of publication | 15572 - 15582 |
| a | 11.939 ± 0.008 Å |
| b | 23.478 ± 0.005 Å |
| c | 11.471 ± 0.004 Å |
| α | 91.86 ± 0.02° |
| β | 112.61 ± 0.03° |
| γ | 97.45 ± 0.04° |
| Cell volume | 2931 ± 2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.3159 |
| Residual factor for significantly intense reflections | 0.1037 |
| Weighted residual factors for significantly intense reflections | 0.2125 |
| Weighted residual factors for all reflections included in the refinement | 0.3177 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178903 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/32. |
4113227.cif |
| 132410 | 2015-02-25 | cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ | perl -ne 'print $1."\n" if /\b(\d{7})\s*$/' \ | codid2file \ | xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s*? ( \n ; \s*? \n ; | '\'' \s* '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse' |
4113227.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4113227.cif |
| 65649 | 2012-09-05 | cif/ Adding structures of 4113227 via cif-deposit CGI script. |
4113227.cif |
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Users of the data should acknowledge the original authors of the
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