Crystallography Open Database

Information card for entry 4120127

4120126 << 4120127 >> 4120128

Preview

Structure parameters

Formula	C88 H44 O32 Zr6
Calculated formula	C88 H44 O32 Zr6
Title of publication	Vapor-Phase Metalation by Atomic Layer Deposition in a Metal-Organic Framework
Authors of publication	Joseph E. Mondloch; Wojciech Bury; David Fairen-Jimenez; Stephanie Kwon; Erica J. DeMarco; Mitchell H. Weston; Amy A. Sarjeant; SonBinh T. Nguyen; Peter C. Stair; Randall Q. Snurr; Omar K. Farha; Joseph T. Hupp
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	10294 - 10297
a	39.3875 ± 0.0007 Å
b	39.3875 ± 0.0007 Å
c	16.4829 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	22145.3 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.99 K
Number of distinct elements	4
Space group number	191
Hermann-Mauguin space group symbol	P 6/m m m
Hall space group symbol	-P 6 2
Residual factor for all reflections	0.1317
Residual factor for significantly intense reflections	0.1216
Weighted residual factors for significantly intense reflections	0.3707
Weighted residual factors for all reflections included in the refinement	0.3858
Goodness-of-fit parameter for all reflections included in the refinement	1.737
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4120127.html