Crystallography Open Database

Information card for entry 4333578

Preview

Coordinates	4333578.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H24 N0 O15 Zn4
Calculated formula	C42 H24 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	17.1238 ± 0.0011 Å
b	20.115 ± 0.0013 Å
c	27.1291 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	9344.5 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0816
Residual factor for significantly intense reflections	0.0704
Weighted residual factors for significantly intense reflections	0.1959
Weighted residual factors for all reflections included in the refinement	0.2051
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.4428 Å
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.	4333578.cif
99373	2014-01-31	cif/ Adding structures of 4333578 via cif-deposit CGI script.	4333578.cif