Crystallography Open Database

Information card for entry 4328631

Preview

Coordinates	4328631.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H19 Cu N9 O6
Calculated formula	C23 H19 Cu N9 O6
Title of publication	Structurally Diverse Copper(II) Complexes of Polyaza Ligands Containing 1,2,3-Triazoles: Site Selectivity and Magnetic Properties
Authors of publication	Pampa M. Guha; Hoa Phan; Jared S. Kinyon; Wendy S. Brotherton; Kesavapillai Sreenath; J. Tyler Simmons; Zhenxing Wang; Ronald J. Clark; Naresh S. Dalal; Michael Shatruk; Lei Zhu
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	3465 - 3477
a	8.8637 ± 0.0005 Å
b	12.7775 ± 0.0007 Å
c	21.2307 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	2404.5 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0496
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.0792
Weighted residual factors for all reflections included in the refinement	0.0846
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4328631.cif
77625	2013-03-29	cif/ Adding structures of 4328631 via cif-deposit CGI script.	4328631.cif