Crystallography Open Database

Information card for entry 7113566

Preview

Coordinates	7113566.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H20 Cu2 N2 O11
Calculated formula	C20 H20 Cu2 N2 O10.98
Title of publication	A 3D metal-organic network, [Cu2(glutarate)2(4,4′-bipyridine)], that exhibits single-crystal to single-crystal dehydration and rehydrationElectronic supplementary information (ESI) available: experimental details, IR, TGA and XRPD of all compounds. See http://www.rsc.org/suppdata/cc/b3/b301219k/.
Authors of publication	Rather, Beth; Zaworotko, Michael J.
Journal of publication	Chemical Communications
Year of publication	2003
Journal issue	7
Pages of publication	830
a	21.351 ± 0.002 Å
b	13.1381 ± 0.0013 Å
c	8.5699 ± 0.0009 Å
α	90°
β	101.007 ± 0.002°
γ	90°
Cell volume	2359.7 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0465
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.1071
Weighted residual factors for all reflections included in the refinement	0.1112
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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
180249 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/35.	7113566.cif
115133	2014-06-02	cif/ Adding structures of 7113564, 7113565, 7113566, 7113567, 7113568, 7113569 via cif-deposit CGI script.	7113566.cif