Crystallography Open Database

Information card for entry 4331624

Preview

Coordinates	4331624.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H21 As Cu2 Mo3 N6 O12
Calculated formula	C16 H21 As Cu2 Mo3 N6 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	11.4377 ± 0.0002 Å
b	19.3351 ± 0.0003 Å
c	14.3898 ± 0.0004 Å
α	90°
β	128.486 ± 0.001°
γ	90°
Cell volume	2490.97 ± 0.1 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	0.0309
Residual factor for significantly intense reflections	0.0224
Weighted residual factors for significantly intense reflections	0.0478
Weighted residual factors for all reflections included in the refinement	0.0487
Goodness-of-fit parameter for all reflections included in the refinement	0.946
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.	4331624.cif
97752	2014-01-29	cif/ Adding structures of 4331624 via cif-deposit CGI script.	4331624.cif