Crystallography Open Database

Information card for entry 4320936

4320935 << 4320936 >> 4320937

Preview

Coordinates	4320936.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H57 Cl2 Cu N11 O16
Calculated formula	C40 H57 Cl2 Cu N11 O16
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	12.1604 ± 0.0009 Å
b	12.6961 ± 0.0009 Å
c	18.1028 ± 0.0012 Å
α	84.191 ± 0.008°
β	73.392 ± 0.008°
γ	66.072 ± 0.008°
Cell volume	2447.8 ± 0.4 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1333
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.0571
Weighted residual factors for all reflections included in the refinement	0.0755
Goodness-of-fit parameter for all reflections included in the refinement	0.599
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
179312 (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 4/32/09.	4320936.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 {}'	4320936.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320936.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320936.cif
18258	2011-04-28	../uploads/cif-deposit/cod/cif Adding structures of 4320936 via cif-deposit CGI script.	4320936.cif