Crystallography Open Database

Information card for entry 4317779

Preview

Coordinates	4317779.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H20 Cl2 Cu N8 O12
Calculated formula	C24 H20 Cl2 Cu0.5 N8 O12
Title of publication	New Mononuclear, Cyclic Tetranuclear, and 1-D Helical-Chain Cu(II) Complexes Formed by Metal-Assisted Hydrolysis of 3,6-Di-2-pyridyl-1,2,4,5-tetrazine (DPTZ): Crystal Structures and Magnetic Properties
Authors of publication	Xian-He Bu; He Liu; Miao Du; Lei Zhang; Ya-Mei Guo; Mitsuhiko Shionoya; Joan Ribas
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	1855 - 1861
a	10.399 ± 0.003 Å
b	10.974 ± 0.002 Å
c	13.618 ± 0.004 Å
α	90°
β	103.24 ± 0.01°
γ	90°
Cell volume	1512.8 ± 0.7 Å³
Cell temperature	298.2 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 significantly intense reflections	0.0545
Weighted residual factors for all reflections included in the refinement	0.0761
Goodness-of-fit parameter for all reflections included in the refinement	1.378
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
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.	4317779.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4317779.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4317779.cif
14060	2011-03-08	../uploads/cif-deposit/cod/cif Adding structures of 4317779 via cif-deposit CGI script.	4317779.cif