Crystallography Open Database

Information card for entry 4317260

Preview

Coordinates	4317260.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H38 Cl4 O7 Sn Ti
Calculated formula	C14 H38 Cl4 O7 Sn Ti
SMILES	C(C)[O]1[Sn]([O](CC)[Ti]1([OH]CC)([OH]CC)(OCC)OCC)(Cl)(Cl)(Cl)Cl.C(C)O
Title of publication	Novel Heteroleptic Heterobimetallic Alkoxide Complexes as Facile Single-Source Precursors for Ta5+ Doped TiO2-SnO2 Nanoparticles
Authors of publication	Shashank Mishra; Erwann Jeanneau; Marie-Hélène Berger; Jean-François Hochepied; Stéphane Daniele
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	11184 - 11189
a	9.6432 ± 0.0007 Å
b	17.175 ± 0.001 Å
c	16.276 ± 0.001 Å
α	90°
β	97.526 ± 0.007°
γ	90°
Cell volume	2672.4 ± 0.3 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0615
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for all reflections	0.1227
Weighted residual factors for significantly intense reflections	0.101
Weighted residual factors for all reflections included in the refinement	0.1227
Goodness-of-fit parameter for all reflections included in the refinement	0.936
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4317260.cif
132627	2015-03-03	cif/ (antanas@koala.ibt.lt) Removing unrecognised tags from CIFs in range 4/ and range 7/.	4317260.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4317260.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4317260.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' ) &	4317260.cif
10772	2011-02-12	../uploads/cif-deposit/cod/cif Adding structures of 4317260 via cif-deposit CGI script.	4317260.cif