Crystallography Open Database

Information card for entry 4315267

Preview

Coordinates	4315267.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C164 H302 Cu13 N92 O25 W7
Calculated formula	C164 H306 Cu13 N92 O25 W7
Title of publication	Eicosanuclear Cluster [Cu13W7] of Copper-Octacyanotungstate Bimetallic Assembly: Synthesis, Structure, and Magnetic Properties
Authors of publication	Jun Wang; Zai-Chao Zhang; Hui-Sheng Wang; Ling-Chen Kang; Hong-Bo Zhou; You Song; Xiao-Zeng You
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	3101 - 3103
a	31.2762 ± 0.0012 Å
b	31.2762 ± 0.0012 Å
c	16.1133 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	15762 ± 2 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	6
Space group number	107
Hermann-Mauguin space group symbol	I 4 m m
Hall space group symbol	I 4 -2
Residual factor for all reflections	0.0658
Residual factor for significantly intense reflections	0.0532
Weighted residual factors for significantly intense reflections	0.1097
Weighted residual factors for all reflections included in the refinement	0.1123
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4315267.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4315267.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4315267.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' ) &	4315267.cif
8410	2011-02-07	../uploads/cif-deposit/cod/cif Adding structures of 4315267 via cif-deposit CGI script.	4315267.cif