Crystallography Open Database

Information card for entry 7113851

Preview

Coordinates	7113851.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Bis(3-(4-pyridyl)-2,4-pentanedionato)copper(ii), ethanol- water solvate
Chemical name	Bis(3-(4-pyridyl)-2,4-pentanedionato)copper(II), ethanol-water solvate
Formula	C22 H30 Cu N2 O7
Calculated formula	C22 H20 Cu N2 O6.99333
Title of publication	Solvent-dependent 44 square grid and 64.82 NbO frameworks formed by Cu(Pyac)2 (bis[3-(4-pyridyl)pentane-2,4-dionato]copper(ii))Electronic supplementary information (ESI) available: microanalyses of 1, 2, 6 and 10. See http://www.rsc.org/suppdata/cc/b3/b305457h/
Authors of publication	Chen, Banglin; Fronczek, Frank R.; Maverick, Andrew W.
Journal of publication	Chemical Communications
Year of publication	2003
Journal issue	17
Pages of publication	2166
a	22.604 ± 0.002 Å
b	22.604 ± 0.002 Å
c	22.964 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	10161.3 ± 1.8 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.054
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.136
Weighted residual factors for all reflections included in the refinement	0.143
Goodness-of-fit parameter for all reflections included in the refinement	1.459
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7113851.cif
115311	2014-06-03	cif/ Adding structures of 7113851, 7113852, 7113853, 7113854, 7113855, 7113856, 7113857 via cif-deposit CGI script.	7113851.cif