Crystallography Open Database

Information card for entry 4331618

Preview

Coordinates	4331618.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H25 As Cu2 Mo3 N12 O12
Calculated formula	C20 H25 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	14.3901 ± 0.0004 Å
b	12.5772 ± 0.0004 Å
c	21.7574 ± 0.0008 Å
α	90°
β	124.537 ± 0.002°
γ	90°
Cell volume	3243.8 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.039
Residual factor for significantly intense reflections	0.0247
Weighted residual factors for significantly intense reflections	0.0475
Weighted residual factors for all reflections included in the refinement	0.0489
Goodness-of-fit parameter for all reflections included in the refinement	0.905
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
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.	4331618.cif
97746	2014-01-29	cif/ Adding structures of 4331618 via cif-deposit CGI script.	4331618.cif