Crystallography Open Database

Information card for entry 4314660

Preview

Coordinates	4314660.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	bis-(o-methoxy-benzyl)-dichloride-tin, THF solvate
Formula	C17.33333 H20.66667 Cl2 O2.33333 Sn
Calculated formula	C17.3333 H20.6667 Cl2 O2.33333 Sn
SMILES	C1CCCO1.C(c1c(OC)cccc1)[Sn](Cl)(Cc1c(cccc1)OC)Cl
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	11.2125 ± 0.0013 Å
b	18.4339 ± 0.0013 Å
c	26.755 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	5530 ± 0.9 Å³
Cell temperature	0 ± 2 K
Ambient diffraction temperature	0 ± 2 K
Number of distinct elements	5
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0344
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0804
Weighted residual factors for all reflections included in the refinement	0.0812
Goodness-of-fit parameter for all reflections included in the refinement	1.154
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
273129 (current)	2022-02-23	cif/4 Fixing Z values and formulae	4314660.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.	4314660.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4314660.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4314660.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' ) &	4314660.cif
7803	2011-02-02	../uploads/cif-deposit/cod/cif Adding structures of 4314660 via cif-deposit CGI script.	4314660.cif