Crystallography Open Database

Information card for entry 4330514

Preview

Coordinates	4330514.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H21 Cu3 O15 Si
Calculated formula	C46.03 H21 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	43.5592 ± 0.0007 Å
b	43.5592 ± 0.0007 Å
c	43.5592 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	82649 ± 2 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 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	0.112
Residual factor for significantly intense reflections	0.1041
Weighted residual factors for significantly intense reflections	0.3684
Weighted residual factors for all reflections included in the refinement	0.3786
Goodness-of-fit parameter for all reflections included in the refinement	1.584
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	4330514.cif
79785	2013-04-05	cif/ Adding structures of 4330514 via cif-deposit CGI script.	4330514.cif