Crystallography Open Database

Information card for entry 4106985

Preview

Coordinates	4106985.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C77 H30 Cu13 N1.25 O110.56 P W11
Calculated formula	C76.96 H29.76 Cu12.96 N1.25 O110.56 P W11.04
Title of publication	A Multiunit Catalyst with Synergistic Stability and Reactivity: A Polyoxometalate-Metal Organic Framework for Aerobic Decontamination
Authors of publication	Jie Song; Zhen Luo; David K. Britt; Hiroyasu Furukawa; Omar M. Yaghi; Kenneth I. Hardcastle; Craig L. Hill
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	16839 - 16846
a	26.307 ± 0.002 Å
b	26.307 ± 0.002 Å
c	26.307 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	18206 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	225
Hermann-Mauguin space group symbol	F m -3 m
Hall space group symbol	-F 4 2 3
Residual factor for all reflections	0.0872
Residual factor for significantly intense reflections	0.0567
Weighted residual factors for significantly intense reflections	0.1788
Weighted residual factors for all reflections included in the refinement	0.2468
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
178815 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/69.	4106985.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106985.cif
54515	2012-04-27	cif/ Adding structures of 4106985 via cif-deposit CGI script.	4106985.cif