Crystallography Open Database

Information card for entry 7011415

Preview

Coordinates	7011415.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H56 Cl8 Co5 N20 O
Calculated formula	C66 H56 Cl8 Co5 N20 O
Title of publication	Linear pentacobalt complexes: synthesis, structures, and physical properties of neutral and one-electron oxidation compounds
Authors of publication	Yeh, Chen-Yu; Chou, Chung-Hsien; Pan, Kun-Chih; Wang, Chih-Chieh; Lee, Gene-Hsiang; Su, Y. Oliver; Peng, Shie-Ming
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2002
Journal issue	13
Pages of publication	2670
a	27.5435 ± 0.0005 Å
b	13.7477 ± 0.0003 Å
c	18.6694 ± 0.0004 Å
α	90°
β	99.4304 ± 0.0008°
γ	90°
Cell volume	6973.8 ± 0.2 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	6
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	0.122
Residual factor for significantly intense reflections	0.0807
Weighted residual factors for significantly intense reflections	0.2309
Weighted residual factors for all reflections included in the refinement	0.2671
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
179818 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/14.	7011415.cif
131843	2015-02-13	cod/ (robertas@burundukas) Changed comma in the number to a decimal point. Affected only values of '_cell_measurement_theta_min' and '_cell_measurement_theta_max'. codsql 'select codid, message from validation \ where message like "%_cell_measurement_theta_m%\"%,%\"%" ' -NB \ \| grep -P '"\d,\d"' \ \| awk '{print $1}' \| uniq \| codid2file \ \| xargs perl -i -pe \ 's/_cell_measurement_theta_m .* \K \b(\d+),(\d+)\b /$1.$2/xi'	7011415.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 {}'	7011415.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7011415.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7011415.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7011415.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7011415.cif