Crystallography Open Database

Information card for entry 4338066

Preview

Coordinates	4338066.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H35 N7 O7 Zn2
Calculated formula	C48 H35 N7 O7 Zn2
Title of publication	Highly Selective Sorption of Small Hydrocarbons and Photocatalytic Properties of Three Metal-Organic Frameworks Based on Tris(4-(1H-imidazol-1-yl)phenyl)amine Ligand.
Authors of publication	Fu, Hong-Ru; Kang, Yao; Zhang, Jian
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	8
Pages of publication	4209 - 4214
a	8.4804 ± 0.0003 Å
b	14.1017 ± 0.0006 Å
c	20.7617 ± 0.0009 Å
α	83.472 ± 0.004°
β	81.241 ± 0.004°
γ	82.823 ± 0.003°
Cell volume	2423.3 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.082
Residual factor for significantly intense reflections	0.0613
Weighted residual factors for significantly intense reflections	0.1912
Weighted residual factors for all reflections included in the refinement	0.2061
Goodness-of-fit parameter for all reflections included in the refinement	1.111
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
179483 (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 4/33/80.	4338066.cif
112721	2014-05-04	cif/ Updating files of 4338066, 4338067, 4338068 Original log message: Adding full bibliography for 4338066--4338068.cif.	4338066.cif
108964	2014-04-06	cif/ Adding structures of 4338066, 4338067, 4338068 via cif-deposit CGI script.	4338066.cif