Crystallography Open Database

Information card for entry 4325866

Preview

Coordinates	4325866.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H51.32 N7 O21.16 Zn4
Calculated formula	C61 H51.32 N7 O21.16 Zn4
Title of publication	Rational Construction of 3D Pillared Metal-Organic Frameworks: Synthesis, Structures, and Hydrogen Adsorption Properties
Authors of publication	Ze Chang; Da-Shuai Zhang; Qiang Chen; Rui-Fang Li; Tong-Liang Hu; Xian-He Bu
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	7555 - 7562
a	25.677 ± 0.01 Å
b	13.996 ± 0.005 Å
c	19.119 ± 0.008 Å
α	90°
β	118.458 ± 0.005°
γ	90°
Cell volume	6041 ± 4 Å³
Cell temperature	113 K
Ambient diffraction temperature	113 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.128
Residual factor for significantly intense reflections	0.1078
Weighted residual factors for significantly intense reflections	0.1981
Weighted residual factors for all reflections included in the refinement	0.2085
Goodness-of-fit parameter for all reflections included in the refinement	1.235
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
179361 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/58.	4325866.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325866.cif
46902	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4325866 via cif-deposit CGI script.	4325866.cif