Crystallography Open Database

Information card for entry 4337531

Preview

Coordinates	4337531.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H36 Cu4 N10 O16
Calculated formula	C30 H36 Cu4 N10 O16
SMILES	c1c2C(=O)N3[N]4=Cc5cccc[n]5[Cu]4(OC(=O)C)([OH][Cu]43([n]2ccn1)[O](C(=O)C)[Cu]12([n]3ccncc3C(=O)N1[N]1=Cc3cccc[n]3[Cu]1(OC(=O)C)([OH]2)[OH2])[O]4C(=O)C)[OH2].O.O
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	9.1816 ± 0.0003 Å
b	10.7148 ± 0.0004 Å
c	11.2422 ± 0.0003 Å
α	62.331 ± 0.003°
β	85.798 ± 0.003°
γ	85.028 ± 0.003°
Cell volume	975.15 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0434
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.096
Weighted residual factors for all reflections included in the refinement	0.0998
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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.	4337531.cif
106456	2014-03-15	cif/ Adding structures of 4337531 via cif-deposit CGI script.	4337531.cif