Crystallography Open Database

Information card for entry 7113857

Preview

Coordinates	7113857.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Bis(3-(4-pyridyl)-2,4-pentanedionato)copper(ii), pyridine solvate
Chemical name	Bis(3-(4-pyridyl)-2,4-pentanedionato)copper(II), pyridine solvate
Formula	C25 H25 Cu N3 O4
Calculated formula	C25 H25 Cu N3 O4
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	7.432 ± 0.002 Å
b	9.583 ± 0.003 Å
c	16.114 ± 0.005 Å
α	90°
β	95.766 ± 0.017°
γ	90°
Cell volume	1141.8 ± 0.6 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.073
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.09
Weighted residual factors for all reflections included in the refinement	0.1
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
180252 (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 7/11/38.	7113857.cif
115311	2014-06-03	cif/ Adding structures of 7113851, 7113852, 7113853, 7113854, 7113855, 7113856, 7113857 via cif-deposit CGI script.	7113857.cif