Crystallography Open Database

Information card for entry 4121149

Preview

Coordinates	4121149.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H6.28 N O3.14 W
Calculated formula	C6 H6.304 N O3.152 W
Title of publication	From 1D Chain to 3D Network: A New Family of Inorganic-Organic Hybrid Semiconductors MO3(L)x (M = Mo, W; L = Organic Linker) Built on Perovskite-like Structure Modules
Authors of publication	Xiao Zhang; Mehdi Hejazi; Suraj J. Thiagarajan; William R. Woerner; Debasis Banerjee; Thomas J. Emge; Wenqian Xu; Simon J. Teat; Qihan Gong; Ahmad Safari; Ronggui Yang; John B. Parise; Jing Li
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	17401 - 17407
a	5.2546 ± 0.0003 Å
b	5.2546 ± 0.0003 Å
c	26.987 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	745.13 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	121
Hermann-Mauguin space group symbol	I -4 2 m
Hall space group symbol	I -4 2
Residual factor for all reflections	0.0249
Residual factor for significantly intense reflections	0.0217
Weighted residual factors for significantly intense reflections	0.0491
Weighted residual factors for all reflections included in the refinement	0.0503
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
179013 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/11.	4121149.cif
107326	2014-03-18	cif/ Adding structures of 4121149 via cif-deposit CGI script.	4121149.cif