Crystallography Open Database

Information card for entry 4320933

4320932 << 4320933 >> 4320934

Preview

Coordinates	4320933.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H58 Cl2 Co N10 O17.5
Calculated formula	C39 H58 Cl2 Co N10 O17.5
Title of publication	Crystal Structures and Magnetic Properties of Metal Complexes Bearing Four Nitronyl Nitroxide Moieties in the Same Coordination Sphere
Authors of publication	Giancarlo Francese; Francisco M. Romero; Antonia Neels; Helen Stoeckli-Evans; Silvio Decurtins
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	2087 - 2095
a	20.9197 ± 0.0019 Å
b	12.0981 ± 0.0008 Å
c	21.215 ± 0.0015 Å
α	90°
β	113.13 ± 0.009°
γ	90°
Cell volume	4937.7 ± 0.7 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1199
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.0891
Weighted residual factors for all reflections included in the refinement	0.104
Goodness-of-fit parameter for all reflections included in the refinement	0.759
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4320933.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 {}'	4320933.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320933.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320933.cif
18255	2011-04-28	../uploads/cif-deposit/cod/cif Adding structures of 4320933 via cif-deposit CGI script.	4320933.cif