Crystallography Open Database

Information card for entry 7113569

Preview

Coordinates	7113569.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H24 Cu2 N2 O13
Calculated formula	C22 H24 Cu2 N2 O12.599
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	23.911 ± 0.003 Å
b	11.8685 ± 0.0015 Å
c	9.2063 ± 0.0012 Å
α	90°
β	90.35 ± 0.002°
γ	90°
Cell volume	2612.6 ± 0.6 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	0.0558
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.0885
Weighted residual factors for all reflections included in the refinement	0.0948
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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.	7113569.cif
115133	2014-06-02	cif/ Adding structures of 7113564, 7113565, 7113566, 7113567, 7113568, 7113569 via cif-deposit CGI script.	7113569.cif