Crystallography Open Database

Information card for entry 1517069

Preview

Coordinates	1517069.cif

Structure parameters

Formula	C40 H76 Cd5 Mo12 N24 O72 P8
Calculated formula	C40 H76 Cd5 Mo12 N24 O72 P8
Title of publication	Ligands directed versatile cadmium-bis(triazole) metal-organic fragments to generate three new two dimensional complexes based on polymolybdenum phosphate
Authors of publication	Xiu-Li Wang; Jing-Jing Cao; Guo-Cheng Liu; Hong-Yan Lin; Ai-Xiang Tian
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	402
Pages of publication	6 - 11
a	14.3639 ± 0.001 Å
b	14.9311 ± 0.001 Å
c	14.949 ± 0.001 Å
α	114.38 ± 0.001°
β	111.444 ± 0.001°
γ	92.437 ± 0.001°
Cell volume	2646.4 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0403
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0939
Weighted residual factors for all reflections included in the refinement	0.0964
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1517069.cif
119978	2014-07-10	cif/ Adding structures of 1517069 via cif-deposit CGI script.	1517069.cif