Crystallography Open Database

Information card for entry 7027698

Preview

Coordinates	7027698.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47.59 H37.59 Cu N3.92 O8
Calculated formula	C47.584 H37.584 Cu N3.916 O8
Title of publication	Kinetic studies on the copper(II)-mediated oxygenolysis of the flavonolate ligand. Crystal structures of [Cu(fla)2] (fla = flavonolate) and [Cu(O-bs)2(py)3] (O-bs = O-benzoylsalicylate) †
Authors of publication	Balogh-Hergovich, Éva; Kaizer, József; Speier, Gábor; Argay, Gyula; Párkányi, László
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1999
Journal issue	21
Pages of publication	3847
a	30.948 ± 0.003 Å
b	9.641 ± 0.001 Å
c	16.159 ± 0.001 Å
α	90°
β	115.53 ± 0.01°
γ	90°
Cell volume	4350.6 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0486
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.1376
Weighted residual factors for all reflections included in the refinement	0.1404
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179982 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/76.	7027698.cif
95661	2014-01-28	cif/ Adding structures of 7027697, 7027698 via cif-deposit CGI script.	7027698.cif