Crystallography Open Database

Information card for entry 7012331

Preview

Coordinates	7012331.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Co2(bpbp)(O2)(CH3CO2)](ClO4)2
Formula	C38 H42 Cl2 Co2 N6 O13
Calculated formula	C38 H42 Cl2 Co2 N6 O13
Title of publication	H3O2–, O22– and O2˙– bridging ligands in cobalt(III) complexes of an acyclic phenolate-hinged dinucleating ligand
Authors of publication	Ghiladi, Morten; Gomez, Jonnes T.; Hazell, Alan; Kofod, Pauli; Lumtscher, Jan; McKenzie, Christine J.
Journal of publication	Dalton Transactions
Year of publication	2003
Journal issue	7
Pages of publication	1320 - 1325
a	36.018 ± 0.002 Å
b	10.1931 ± 0.0006 Å
c	21.971 ± 0.001 Å
α	90°
β	94.602 ± 0.001°
γ	90°
Cell volume	8040.3 ± 0.7 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 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 significantly intense reflections	0.039
Weighted residual factors for all reflections included in the refinement	0.041
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
297178 (current)	2025-01-07	Updated bibliographic information in entries 7012331-7012334.	7012331.cif
179827	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 7/01/23.	7012331.cif
132129	2015-02-20	cod/ (robertas@burundukas) Changed 'Insert the chemical name here' placeholders into '?': codsql 'select file, chemname from data where chemname like "%name%here%" ' -NB \ \| awk '{print $1}' \ \| codid2file \ \| xargs perl -0777 -i -pe \ 's/ \b (?i:_chemical_name_systematic) \b \K (?: \s (?!\n) )* \n ; \s* ( \? \s* .Insert\ the\ chemical\ name\ here\. \| insert\ name\ here \| name\ here \| Insert\ the\ systematic\ name\ here \| systematic\ name\ to\ be\ included\ here ) \s+ (?<= \n ) ; (?= \n ) / ?/ixms'	7012331.cif
129439	2015-01-07	cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ \| codid2file \ \| xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'\|\\?\|none)/_exptl_crystal_density_method ./i"	7012331.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7012331.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7012331.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' ) &	7012331.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7012331.cif