Crystallography Open Database

Information card for entry 7200946

7200945 << 7200946 >> 7200947

Preview

Coordinates	7200946.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H24 Cl4 N12 O8 Zn4
Calculated formula	C36 H24 Cl4 N12 O8 Zn4
Title of publication	Influence of noncovalent intermolecular interactions on crystal packing: syntheses and crystal structures of three layered Zn(ii)/1,2,4-triazole/carboxylate coordination polymers
Authors of publication	Song, Zhe; Gao, Hongze; Li, Guanghua; Yu, Yang; Shi, Zhan; Feng, Shouhua
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	8
Pages of publication	1579
a	13.7305 ± 0.0009 Å
b	13.7537 ± 0.0012 Å
c	23.967 ± 0.002 Å
α	90°
β	92.89 ± 0.005°
γ	90°
Cell volume	4520.3 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0782
Residual factor for significantly intense reflections	0.0608
Weighted residual factors for significantly intense reflections	0.1487
Weighted residual factors for all reflections included in the refinement	0.1621
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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.	7200946.cif
130086	2015-01-23	cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ \| xargs -i sh -c 'cif_fix_values {} \ \| cif_filter --add-cif-header {} \ \| sponge {}'	7200946.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7200946.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7200946.cif
31986	2012-01-04	cif/ Changing more tags to match the dictionary specifications: -_diffrn_standards_interval_count none -_diffrn_standards_interval_time none -_diffrn_standards_number none +_diffrn_standards_interval_count 0 +_diffrn_standards_interval_time . +_diffrn_standards_number 0	7200946.cif
31985	2012-01-04	cif/ Canging data item '_diffrn_standards_decay_% none' to '_diffrn_standards_decay_% 0'.	7200946.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' ) &	7200946.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	7200946.cif