Crystallography Open Database

Information card for entry 7000310

Preview

Coordinates	7000310.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H21 Cl2 N7 S2 Zn
Calculated formula	C12 H21 Cl2 N7 S2 Zn
SMILES	[Zn]123(Cl)[S]=C(NC)N[N]2=C2C(=[N]3NC(=[S]1)NC)CCCC2.[Cl-].N#CC
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
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0977
Residual factor for significantly intense reflections	0.0537
Weighted residual factors for significantly intense reflections	0.0961
Weighted residual factors for all reflections included in the refinement	0.113
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
179681 (current)	2016-03-24	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/03.	7000310.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7000310.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7000310.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7000310.cif