Crystallography Open Database

Information card for entry 4333577

Preview

Coordinates	4333577.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H22 O15 Zn4
Calculated formula	C48 H22 O15 Zn4
Title of publication	A Straight Forward Route for the Development of Metal-Organic Frameworks Functionalized with Aromatic -OH Groups: Synthesis, Characterization, and Gas (N2, Ar, H2, CO2, CH4, NH3) Sorption Properties
Authors of publication	Ioannis Spanopoulos; Pantelis Xydias; Christos D. Malliakas; Pantelis N. Trikalitis
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	855 - 862
a	30.367 ± 0.004 Å
b	30.367 ± 0.004 Å
c	30.367 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	28003 ± 6 Å³
Cell temperature	250 ± 2 K
Ambient diffraction temperature	250 ± 2 K
Number of distinct elements	4
Space group number	223
Hermann-Mauguin space group symbol	P m -3 n
Hall space group symbol	-P 4n 2 3
Residual factor for all reflections	0.3371
Residual factor for significantly intense reflections	0.1522
Weighted residual factors for significantly intense reflections	0.2976
Weighted residual factors for all reflections included in the refinement	0.3617
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
179438 (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 4/33/35.	4333577.cif
99372	2014-01-31	cif/ Adding structures of 4333577 via cif-deposit CGI script.	4333577.cif