Crystallography Open Database

Information card for entry 7218728

Preview

Coordinates	7218728.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H46 Ho2 N24 O26
Calculated formula	C32 H46 Ho2 N24 O26
SMILES	c1(c(O)ccc(c1)/N=N/c1[n-]nnn1)C1=[O][Ho]2(O1)([OH2])([OH2])([OH2])([OH2])[O]=C(c1c(O)ccc(/N=N/c3nn[nH]n3)c1)O[Ho]1([O]=C(c3c(ccc(c3)/N=N/c3[n-]nnn3)O)O1)([O]=C(c1c(O)ccc(/N=N/c3nn[nH]n3)c1)O2)([OH2])([OH2])([OH2])[OH2].O.O.O.O.O.O
Title of publication	Syntheses, Supramolecular Structures, Magnetic and Photochromic Properties of Six Lanthanide Complexes Based on 5-Azotetrazolyl Salicylic Acid Ligand
Authors of publication	Chen, Wen-Bin; Li, Zhi-Xin; Ouyang, Zhi-Jian; Lin, Wen-Ning; Yang, Liu; Dong, Wen
Journal of publication	RSC Adv.
Year of publication	2014
a	9.6936 ± 0.0004 Å
b	11.992 ± 0.0004 Å
c	12.8118 ± 0.0004 Å
α	110.378 ± 0.003°
β	94.93 ± 0.004°
γ	104.916 ± 0.003°
Cell volume	1323.48 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0397
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.1015
Weighted residual factors for all reflections included in the refinement	0.1058
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
180518 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/87.	7218728.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 {}'	7218728.cif
126660	2014-11-08	cif/ Adding structures of 7218726, 7218727, 7218728, 7218729, 7218730, 7218731 via cif-deposit CGI script.	7218728.cif