Crystallography Open Database: Information card for 7000310

Structure parameters

Formula	C12 H21 Cl2 N7 S2 Zn
Calculated formula	C12 H21 Cl2 N7 S2 Zn
Title of publication	Synthetic, structural and kinetic studies on the binding of cyclohexane-1,2-bis(4-methyl-3-thiosemicarbazone) to divalent metal ions (Co, Ni, Cu, Zn or Cd)
Authors of publication	Al-Karawi, Ahmed Jasim M.; Clegg, William; Harrington, Ross W.; Henderson, Richard A.
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	3
Pages of publication	564 - 570
a	11.9205 ± 0.0011 Å
b	7.8966 ± 0.0007 Å
c	20.2112 ± 0.0018 Å
α	90°
β	100.084 ± 0.0019°
γ	90°
Cell volume	1873.1 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Hermann-Mauguin symmetry space group	P 1 21/n 1
Hall symmetry space group	-P 2yn
Residual factor for all reflections	0.0977
Residual factor for observed reflections	0.0537
Weighted residual factors for the observed reflections	0.0961
Weighted residual factors for all reflections included in the refinement	0.113
Goodness-of-fit parameter for observed reflections	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Crystallography Open Database