Crystallography Open Database

Information card for entry 1517068

Preview

Coordinates	1517068.cif

Structure parameters

Formula	C32 H60 Cd5 Mo12 N24 O72 P8
Calculated formula	C32 H60 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	12.836 ± 0.005 Å
b	14.502 ± 0.005 Å
c	14.953 ± 0.005 Å
α	104.155 ± 0.005°
β	102.83 ± 0.005°
γ	108.371 ± 0.005°
Cell volume	2422.3 ± 1.5 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	0.0509
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.1203
Weighted residual factors for all reflections included in the refinement	0.1249
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	0.71069 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.	1517068.cif
119977	2014-07-10	cif/ Adding structures of 1517068 via cif-deposit CGI script.	1517068.cif