Crystallography Open Database

Information card for entry 4331620

Preview

Coordinates	4331620.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H29 As Cu2 Mo3 N12 O12
Calculated formula	C22 H29 As Cu2 Mo3 N12 O12
Title of publication	Four New Three-Dimensional Polyoxometalate-Based Metal-Organic Frameworks Constructed From [Mo6O18(O3AsPh)2]4- Polyoxoanions and Copper(I)-Organic Fragments: Syntheses, Structures, Electrochemistry, and Photocatalysis Properties
Authors of publication	Bo Liu; Jin Yang; Guo-Cheng Yang; Jian-Fang Ma
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	84 - 94
a	11.3976 ± 0.0003 Å
b	13.3822 ± 0.0004 Å
c	13.3964 ± 0.0005 Å
α	109.716 ± 0.003°
β	96.413 ± 0.002°
γ	107.931 ± 0.002°
Cell volume	1776.28 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0513
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.1064
Weighted residual factors for all reflections included in the refinement	0.1092
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179419 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/16.	4331620.cif
97748	2014-01-29	cif/ Adding structures of 4331620 via cif-deposit CGI script.	4331620.cif