Crystallography Open Database

Information card for entry 7108410

Preview

Coordinates	7108410.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H80 N9 O23 Zn4
Calculated formula	C34 H16 O15 Zn4
Title of publication	Controllable synthesis of a non-interpenetrating microporous metal-organic framework based on octahedral cage-like building units for highly efficient reversible adsorption of iodine
Authors of publication	Zhongmin Su; Ya-Qian Lan; Wen-Wen He
Journal of publication	Chem.Commun.
Year of publication	2012
Journal volume	48
Pages of publication	10001
a	10.283 ± 0.0011 Å
b	27.339 ± 0.003 Å
c	27.246 ± 0.0016 Å
α	90°
β	92.806 ± 0.002°
γ	90°
Cell volume	7650.4 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0739
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.0719
Weighted residual factors for all reflections included in the refinement	0.0763
Goodness-of-fit parameter for all reflections included in the refinement	0.777
Diffraction radiation wavelength	0.71069 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.	7108410.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7108410.cif
66774	2012-09-13	cif/ Adding structures of 7108410 via cif-deposit CGI script.	7108410.cif