Crystallography Open Database

Information card for entry 4308826

Preview

Coordinates	4308826.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21.5 H36 Cl Cu N5 O13.5
Calculated formula	C21.5 H27 Cl Cu N5 O13.5
Title of publication	Coordination Behavior toward Copper(II) and Zinc(II) Ions of Three Ligands Joining 3-Hydroxy-2-pyridinone and Polyaza Fragments
Authors of publication	Gianluca Ambrosi; Mauro Formica; Vieri Fusi; Luca Giorgi; Annalisa Guerri; Simone Lucarini; Mauro Micheloni; Paola Paoli; Patrizia Rossi; Giovanni Zappia
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	3249 - 3260
a	9.039 ± 0.001 Å
b	23.253 ± 0.003 Å
c	14.279 ± 0.002 Å
α	90°
β	96.339 ± 0.007°
γ	90°
Cell volume	2982.9 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0761
Residual factor for significantly intense reflections	0.071
Weighted residual factors for significantly intense reflections	0.2121
Weighted residual factors for all reflections included in the refinement	0.2166
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4308826.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308826.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308826.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4308826.cif