Crystallography Open Database

Information card for entry 7217219

Preview

Coordinates	7217219.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39.38 H45.88 N9.13 O11.13 Zn2
Calculated formula	C29.921 H19.931 N5.989 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	17.1558 ± 0.0006 Å
b	13.4604 ± 0.0004 Å
c	36.1586 ± 0.0011 Å
α	90°
β	97.233 ± 0.002°
γ	90°
Cell volume	8283.4 ± 0.5 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 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	0.1033
Residual factor for significantly intense reflections	0.0722
Weighted residual factors for significantly intense reflections	0.2239
Weighted residual factors for all reflections included in the refinement	0.24
Goodness-of-fit parameter for all reflections included in the refinement	1.15
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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