Crystallography Open Database

Information card for entry 4329496

Preview

Coordinates	4329496.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H42 Co3 N20 O4
Calculated formula	C42 H42 Co3 N20 O4
Title of publication	Two Metal-Organic Frameworks Constructed from One-Dimensional Cobalt(II) Ferrimagnetic Chains with Alternating Antiferromagnetic/Ferromagnetic and AF/AF/FM Interaction: Synthesis, Structures, and Magnetic Properties
Authors of publication	Fen Yang; Baiyan Li; Wei Xu; Guanghua Li; Qi Zhou; Jia Hua; Zhan Shi; Shouhua Feng
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	6813 - 6820
a	15.884 ± 0.003 Å
b	22.496 ± 0.005 Å
c	13.204 ± 0.003 Å
α	90°
β	92.11 ± 0.03°
γ	90°
Cell volume	4714.9 ± 1.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1098
Residual factor for significantly intense reflections	0.0789
Weighted residual factors for significantly intense reflections	0.1968
Weighted residual factors for all reflections included in the refinement	0.2173
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
179397 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/94.	4329496.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 {}'	4329496.cif
78553	2013-04-02	cif/ Adding structures of 4329496 via cif-deposit CGI script.	4329496.cif