Crystallography Open Database

Information card for entry 4507488

Preview

Coordinates	4507488.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H24 N6 O23 Zn3
Calculated formula	C48 H24 N6 O20 Zn3
Title of publication	Single- and Double-Layer Structures and Sorption Properties of Two Microporous Metal‒Organic Frameworks with Flexible Tritopic Ligand
Authors of publication	Han, Liqin; Yan, Yan; Sun, Fuxing; Cai, Kun; Borjigin, Tsolmon; Zhao, Xiaojun; Qu, Fengyu; Zhu, Guangshan
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	4
Pages of publication	1458
a	16.5254 ± 0.0003 Å
b	16.5254 ± 0.0003 Å
c	14.0982 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	3334.25 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	163
Hermann-Mauguin space group symbol	P -3 1 c
Hall space group symbol	-P 3 2c
Residual factor for all reflections	0.0352
Residual factor for significantly intense reflections	0.0287
Weighted residual factors for significantly intense reflections	0.0764
Weighted residual factors for all reflections included in the refinement	0.08
Goodness-of-fit parameter for all reflections included in the refinement	0.779
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
179610 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/74.	4507488.cif
85537	2013-05-07	cif/ Adding structures of 4507488 via cif-deposit CGI script.	4507488.cif