Crystallography Open Database

Information card for entry 4105649

Preview

Coordinates	4105649.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H40 N2 O16 Zn2
Calculated formula	C28 H16 N2 O13 Zn2
Title of publication	Gated Channels in a Honeycomb-like Zinc-Dicarboxylate-Bipyridine Framework with Flexible Alkyl Ether Side Chains
Authors of publication	Sebastian Henke; Roland A. Fischer
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	2064 - 2067
a	53.188 ± 0.003 Å
b	53.188 ± 0.003 Å
c	17.813 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	43641 ± 6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.1145
Residual factor for significantly intense reflections	0.0903
Weighted residual factors for significantly intense reflections	0.2642
Weighted residual factors for all reflections included in the refinement	0.2778
Goodness-of-fit parameter for all reflections included in the refinement	0.987
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178802 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/56.	4105649.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4105649.cif
52410	2012-04-11	../uploads/cif-deposit/cod/cif Adding structures of 4105649 via cif-deposit CGI script.	4105649.cif