Crystallography Open Database

Information card for entry 1518744

Preview

Coordinates	1518744.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H30 N8 O5 Zn4
Calculated formula	C32 H30 N8 O5 Zn4
Title of publication	Tuning fluorocarbon adsorption in new isoreticular porous coordination frameworks for heat transformation applications
Authors of publication	Lin, Rui-Biao; Li, Tai-Yang; Zhou, Hao-Long; He, Chun-Ting; Zhang, Jie-Peng; Chen, Xiao-Ming
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	4
Pages of publication	2516
a	11.5382 ± 0.0014 Å
b	11.5382 ± 0.0014 Å
c	25.813 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3436.5 ± 0.7 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	132
Hermann-Mauguin space group symbol	P 42/m c m
Hall space group symbol	-P 4c 2c
Residual factor for all reflections	0.0628
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.1545
Weighted residual factors for all reflections included in the refinement	0.1609
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1518744.cif
134900	2015-04-06	cif/ Updating files of 1518744, 1518745 Original log message: Adding full bibliography for 1518744--1518745.cif.	1518744.cif
132039	2015-02-19	cif/ Adding structures of 1518744, 1518745 via cif-deposit CGI script.	1518744.cif