Crystallography Open Database

Information card for entry 3500008

Preview

Coordinates	3500008.cif
Structure factors	3500008.hkl

Structure parameters

Formula	C10 H18 Co N8 O8
Calculated formula	C10 Co N8 O8
SMILES	[Co](n1cnn2c1nc(=O)cc2)(n1cnn2c1nc(=O)cc2)([OH2])([OH2])([OH2])[OH2].O.O
Authors of publication	Mohammad Abul Haj; Miguel Quirós; Juan M. Salas; René Faure
Journal of publication	Personal communication to COD
Year of publication	2011
a	7.342 ± 0.001 Å
b	10.922 ± 0.002 Å
c	11.245 ± 0.002 Å
α	90°
β	102.17 ± 0.01°
γ	90°
Cell volume	881.5 ± 0.3 Å³
Cell temperature	295 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for significantly intense reflections	0.066
Weighted residual factors for significantly intense reflections	0.081
Goodness-of-fit parameter for significantly intense reflections	2.807
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	xray
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181860 (current)	2016-04-06	hkl/ (antanas@echidna.ibt.lt) Adding svn headers to multiple entries in range 7.	3500008.cif 3500008.hkl
180707	2016-04-02	hkl/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 3.	3500008.cif 3500008.hkl
176668	2016-02-18	cif/3/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in entries 3000010, 3000011, 3000012, 3500008, 3500010, 3500022.	3500008.cif 3500008.hkl
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 {}'	3500008.cif 3500008.hkl
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	3500008.cif 3500008.hkl
34320	2012-02-24	hkl/ Reorganizing all Fobs directories (.hkl files) into a prefix tree directory.	3500008.cif 3500008.hkl
24565	2011-09-02	../uploads/cif-deposit/cod/hkl Adding Fobs of 3500008 via cif-deposit CGI script.	3500008.cif 3500008.hkl
24564	2011-09-02	../uploads/cif-deposit/cod/cif Adding structures of 3500008 via cif-deposit CGI script.	3500008.cif