Crystallography Open Database

Information card for entry 4330513

Preview

Coordinates	4330513.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H30 Cu3 O15 Si
Calculated formula	C43 H24.06 Cu3 O15 Si
Title of publication	Comparison of the Effect of Functional Groups on Gas-Uptake Capacities by Fixing the Volumes of Cages A and B and Modifying the Inner Wall of Cage C in rht-Type MOFs
Authors of publication	XiaoLiang Zhao; Di Sun; Shuai Yuan; Shengyu Feng; Rong Cao; Daqiang Yuan; Suna Wang; Jianmin Dou; Daofeng Sun
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	10350 - 10355
a	43.6931 ± 0.0001 Å
b	43.6931 ± 0.0001 Å
c	43.6931 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	83413.9 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.0897
Residual factor for significantly intense reflections	0.084
Weighted residual factors for significantly intense reflections	0.245
Weighted residual factors for all reflections included in the refinement	0.2527
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
179408 (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 4/33/05.	4330513.cif
79784	2013-04-05	cif/ Adding structures of 4330513 via cif-deposit CGI script.	4330513.cif