Crystallography Open Database

Information card for entry 7217218

Preview

Coordinates	7217218.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H22 N4 O8 Zn2
Calculated formula	C30 H22 N4 O8 Zn2
Title of publication	Influence of an amine group on the highly efficient reversible adsorption of iodine in two novel isoreticular interpenetrated pillared-layer microporous metal‒organic frameworks
Authors of publication	Safarifard, Vahid; Morsali, Ali
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	37
Pages of publication	8660
a	16.2326 ± 0.0019 Å
b	14.5987 ± 0.0019 Å
c	36.175 ± 0.004 Å
α	90°
β	94.93 ± 0.009°
γ	90°
Cell volume	8540.9 ± 1.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1355
Residual factor for significantly intense reflections	0.0973
Weighted residual factors for significantly intense reflections	0.2692
Weighted residual factors for all reflections included in the refinement	0.2957
Goodness-of-fit parameter for all reflections included in the refinement	1.126
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7217218.cif
123420	2014-09-08	cif/ Updating files of 7217218, 7217219 Original log message: Adding full bibliography for 7217218--7217219.cif.	7217218.cif
120864	2014-07-29	cif/ Adding structures of 7217218, 7217219 via cif-deposit CGI script.	7217218.cif