Crystallography Open Database

Information card for entry 1516911

Preview

Coordinates	1516911.cif

Structure parameters

Formula	C108 H146 Mo16 N12 O79
Calculated formula	C108 H116 Mo16 N12 O79
Title of publication	Two new polyoxometalate-templated supramolecular compounds constructed by a new tridentate ligand 2,4,6-tris[1-(4-oxidroxypyridinium)-ylmethyl]-mesitylene
Authors of publication	Jiao Guo; Jin Yang; Ying-Ying Liu; Jian-Fang Ma
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	400
Pages of publication	51 - 58
a	19.9057 ± 0.0008 Å
b	11.0481 ± 0.0003 Å
c	24.3389 ± 0.0013 Å
α	90°
β	127.481 ± 0.003°
γ	90°
Cell volume	4247.6 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0869
Residual factor for significantly intense reflections	0.0547
Weighted residual factors for significantly intense reflections	0.1366
Weighted residual factors for all reflections included in the refinement	0.1608
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	1516911.cif
119629	2014-07-08	cif/ Adding structures of 1516911 via cif-deposit CGI script.	1516911.cif