Crystallography Open Database

Information card for entry 4316145

Preview

Coordinates	4316145.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H30 Co F2 N4 O5
Calculated formula	C24 H30 Co F2 N4 O5
Title of publication	Metal-Organic Frameworks Containing a Tetrapyridylcyclobutane Ligand Derived from Isomerization Reaction
Authors of publication	Abdul Malik Puthan Peedikakkal; Charlene Shi Yun Peh; Lip Lin Koh; Jagadese J. Vittal
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	6775 - 6777
a	8.3837 ± 0.0003 Å
b	8.3837 ± 0.0003 Å
c	16.8473 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1184.14 ± 0.09 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	116
Hermann-Mauguin space group symbol	P -4 c 2
Hall space group symbol	P -4 -2c
Residual factor for all reflections	0.0226
Residual factor for significantly intense reflections	0.0224
Weighted residual factors for significantly intense reflections	0.0604
Weighted residual factors for all reflections included in the refinement	0.0606
Goodness-of-fit parameter for all reflections included in the refinement	1.16
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
179241 (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 4/31/61.	4316145.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 {}'	4316145.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4316145.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4316145.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' ) &	4316145.cif
9335	2011-02-09	../uploads/cif-deposit/cod/cif Adding structures of 4316145 via cif-deposit CGI script.	4316145.cif