Crystallography Open Database

Information card for entry 4114572

Preview

Coordinates	4114572.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H21 N3 O30 V12
Calculated formula	C18 H21 N3 O30 V12
Title of publication	Strong Electron-Acceptor Methylviologen Dications Confined in a 2D Inorganic Host: Synthesis, Structural Characterization, Charge Transport and Electrochemical Properties of (MV)0.25V2O5
Authors of publication	Anima Bose; Pingang He; Charles Liu; Brett D. Ellman; Robert J. Twieg; Songping D. Huang
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	4 - 5
a	11.5683 ± 0.0014 Å
b	13.4244 ± 0.0017 Å
c	14.2656 ± 0.0018 Å
α	67.015 ± 0.002°
β	72.957 ± 0.002°
γ	84.403 ± 0.002°
Cell volume	1949.6 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2334
Residual factor for significantly intense reflections	0.0877
Weighted residual factors for significantly intense reflections	0.1802
Weighted residual factors for all reflections included in the refinement	0.2446
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
178916 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/45.	4114572.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114572.cif
67902	2012-10-08	cif/ Adding structures of 4114572 via cif-deposit CGI script.	4114572.cif