Crystallography Open Database

Information card for entry 4118017

Preview

Coordinates	4118017.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H52 N2 O12 Zn2
Calculated formula	C22.08 N2 O12 Zn2
Title of publication	Directing the Breathing Behavior of Pillared-Layered Metal-Organic Frameworks via a Systematic Library of Functionalized Linkers Bearing Flexible Substituents
Authors of publication	Sebastian Henke; Andreas Schneemann; Annika Wütscher; Roland A. Fischer
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	9464 - 9474
a	10.9068 ± 0.0005 Å
b	10.9068 ± 0.0005 Å
c	9.5754 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	1139.07 ± 0.11 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	123
Hermann-Mauguin space group symbol	P 4/m m m
Hall space group symbol	-P 4 2
Residual factor for all reflections	0.0602
Residual factor for significantly intense reflections	0.0566
Weighted residual factors for significantly intense reflections	0.1545
Weighted residual factors for all reflections included in the refinement	0.1576
Goodness-of-fit parameter for all reflections included in the refinement	1.129
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
178951 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/80.	4118017.cif
75162	2013-03-08	cif/ Adding structures of 4118017 via cif-deposit CGI script.	4118017.cif