Crystallography Open Database

Information card for entry 1518745

Preview

Coordinates	1518745.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H32 N8 O5 Zn4
Calculated formula	C34 H32 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	11.517 ± 0.003 Å
b	11.517 ± 0.003 Å
c	34.474 ± 0.011 Å
α	90°
β	90°
γ	90°
Cell volume	4573 ± 2 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 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	0.0814
Residual factor for significantly intense reflections	0.0748
Weighted residual factors for significantly intense reflections	0.1927
Weighted residual factors for all reflections included in the refinement	0.1958
Goodness-of-fit parameter for all reflections included in the refinement	1.095
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	1518745.cif
134900	2015-04-06	cif/ Updating files of 1518744, 1518745 Original log message: Adding full bibliography for 1518744--1518745.cif.	1518745.cif
132039	2015-02-19	cif/ Adding structures of 1518744, 1518745 via cif-deposit CGI script.	1518745.cif