Crystallography Open Database

Information card for entry 4315061

Preview

Coordinates	4315061.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H28 Cl3 Er N12 O20
Calculated formula	C24 H28 Cl3 Er N12 O20
Title of publication	Synthesis and Characterization of New Coordination Polymers with Tunable Luminescent Properties Generated from Bent 1,2,4-Triazole-Bridged N,N'-Dioxides and Ln(III) Salts
Authors of publication	Hai-Ying Wang; Jun-Yan Cheng; Jian-Ping Ma; Yu-Bin Dong; Ru-Qi Huang
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	2416 - 2426
a	9.2085 ± 0.0019 Å
b	11.783 ± 0.002 Å
c	17.37 ± 0.004 Å
α	91.881 ± 0.002°
β	94.895 ± 0.003°
γ	90.418 ± 0.003°
Cell volume	1876.7 ± 0.7 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.07
Residual factor for significantly intense reflections	0.0564
Weighted residual factors for significantly intense reflections	0.1338
Weighted residual factors for all reflections included in the refinement	0.1407
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
179230 (current)	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 4/31/50.	4315061.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4315061.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4315061.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' ) &	4315061.cif
8204	2011-02-03	../uploads/cif-deposit/cod/cif Adding structures of 4315061 via cif-deposit CGI script.	4315061.cif