Crystallography Open Database

Information card for entry 4507980

Preview

Coordinates	4507980.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H25 N4 O6 Zn2
Calculated formula	C31 H25 N4 O6 Zn2
Title of publication	A Highly Chemical and Thermal Stable Porous Metal‒Organic Framework with Unusual 5-ConnectedzfyTopology
Authors of publication	Li, Ting; Wang, Feng-Lan; Wu, Shu-Ting; Huang, Xi-He; Chen, Shu-Mei; Huang, Chang-Cang
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	8
Pages of publication	3271
a	43.719 ± 0.006 Å
b	43.719 ± 0.006 Å
c	8.5159 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	16277 ± 5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.1226
Residual factor for significantly intense reflections	0.0613
Weighted residual factors for significantly intense reflections	0.1019
Weighted residual factors for all reflections included in the refinement	0.1269
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
179615 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/79.	4507980.cif
87775	2013-08-27	cif/ Adding structures of 4507980 via cif-deposit CGI script.	4507980.cif