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Information card for entry 4314661
Preview
| Coordinates | 4314661.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Chemical name | Bis-(o-methoxybenzyl)-dichloro-tin |
|---|---|
| Formula | C16 H18 Cl2 O2 Sn |
| Calculated formula | C16 H18 Cl2 O2 Sn |
| SMILES | [Sn](Cl)(Cl)(Cc1c(OC)cccc1)Cc1c(OC)cccc1 |
| Title of publication | Intramolecular Chalcogen-Tin Interactions in [(o-MeEC6H4)CH2]2SnPh2-nCln (E = S, O, CH2; n= 0, 1, 2) and Intermolecular Chlorine-Tin Interactions in the meta- and para-Methoxy Isomers |
| Authors of publication | Diana Gabriela Vargas-Pineda; Tanya Guardado; Francisco Cervantes-Lee; Alejandro J. Metta-Magana; Keith H. Pannell |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 960 - 968 |
| a | 7.457 ± 0.0012 Å |
| b | 8.594 ± 0.0014 Å |
| c | 14.043 ± 0.002 Å |
| α | 89.699 ± 0.002° |
| β | 81.92 ± 0.002° |
| γ | 81.005 ± 0.002° |
| Cell volume | 879.9 ± 0.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0469 |
| Residual factor for significantly intense reflections | 0.0404 |
| Weighted residual factors for significantly intense reflections | 0.1226 |
| Weighted residual factors for all reflections included in the refinement | 0.1306 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.88 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4314661.cif |
| 179224 | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/46. |
4314661.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4314661.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4314661.cif |
| 17004 | 2011-03-31 | cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif | sort | xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} | > cif_filter --add-cif-header {} | > sponge {} ) 2>&1 | grep NOTE; then svn revert {}; > fi' ) & |
4314661.cif |
| 7804 | 2011-02-02 | ../uploads/cif-deposit/cod/cif Adding structures of 4314661 via cif-deposit CGI script. |
4314661.cif |
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Users of the data should acknowledge the original authors of the
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