Crystallography Open Database

Information card for entry 4105650

Preview

Coordinates	4105650.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H28 N2 O12 Zn2
Calculated formula	C26 H10 N2 O9 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	14.0138 ± 0.0002 Å
b	10.9075 ± 0.0002 Å
c	21.7501 ± 0.0004 Å
α	90°
β	91.524 ± 0.002°
γ	90°
Cell volume	3323.45 ± 0.1 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0708
Residual factor for significantly intense reflections	0.0456
Weighted residual factors for significantly intense reflections	0.1331
Weighted residual factors for all reflections included in the refinement	0.1394
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	4105650.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4105650.cif
52411	2012-04-11	../uploads/cif-deposit/cod/cif Adding structures of 4105650 via cif-deposit CGI script.	4105650.cif