Crystallography Open Database

Information card for entry 1517067

Preview

Coordinates	1517067.cif

Structure parameters

Formula	C14 H28 Cd3 Mo6 N12 O36 P4
Calculated formula	C14 H28 Cd3 Mo6 N12 O36 P4
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	12.686 ± 0.005 Å
b	14.444 ± 0.005 Å
c	14.594 ± 0.005 Å
α	109.839 ± 0.005°
β	106.925 ± 0.005°
γ	96.214 ± 0.005°
Cell volume	2341.9 ± 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	0.0329
Residual factor for significantly intense reflections	0.0293
Weighted residual factors for significantly intense reflections	0.0796
Weighted residual factors for all reflections included in the refinement	0.0814
Goodness-of-fit parameter for all reflections included in the refinement	1.124
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.	1517067.cif
119976	2014-07-10	cif/ Adding structures of 1517067 via cif-deposit CGI script.	1517067.cif