Crystallography Open Database

Information card for entry 4337530

Preview

Coordinates	4337530.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H8 Cl Cu N5 O5
Calculated formula	C11 H8 Cl Cu N5 O5
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	8.3845 ± 0.0002 Å
b	8.3845 ± 0.0002 Å
c	19.2943 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	1356.39 ± 0.09 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	76
Hermann-Mauguin space group symbol	P 41
Hall space group symbol	P 4w
Residual factor for all reflections	0.1021
Residual factor for significantly intense reflections	0.0865
Weighted residual factors for significantly intense reflections	0.2277
Weighted residual factors for all reflections included in the refinement	0.2415
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4337530.cif
106455	2014-03-15	cif/ Adding structures of 4337530 via cif-deposit CGI script.	4337530.cif