Crystallography Open Database

Information card for entry 4337529

Preview

Coordinates	4337529.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H20 Cu3 N10 O14 S2
Calculated formula	C22 H20 Cu3 N10 O14 S2
Title of publication	Anion-tunable configuration isomerism and magnetic coupling in a tetranuclear discrete, one-dimensional (1D) chiral chain and 1D-decker copper(II) complexes of a carbohydrazine derivative.
Authors of publication	Huang, Wei; Jin, Yuchao; Wu, Dayu; Wu, Genhua
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	1
Pages of publication	73 - 79
a	7.3833 ± 0.0003 Å
b	8.5042 ± 0.0003 Å
c	12.6894 ± 0.0005 Å
α	80.127 ± 0.002°
β	80.033 ± 0.003°
γ	79.988 ± 0.002°
Cell volume	764.53 ± 0.05 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0852
Residual factor for significantly intense reflections	0.0767
Weighted residual factors for significantly intense reflections	0.1855
Weighted residual factors for all reflections included in the refinement	0.1886
Goodness-of-fit parameter for all reflections included in the refinement	1.234
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
179478 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/75.	4337529.cif
106454	2014-03-15	cif/ Adding structures of 4337529 via cif-deposit CGI script.	4337529.cif