Crystallography Open Database

Information card for entry 7000311

Preview

Coordinates	7000311.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H21 Cd N9 O6 S2
Calculated formula	C12 H21 Cd N9 O6 S2
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	10.0365 ± 0.0011 Å
b	8.8416 ± 0.0009 Å
c	24.652 ± 0.003 Å
α	90°
β	101.241 ± 0.0017°
γ	90°
Cell volume	2145.6 ± 0.4 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	0.0363
Residual factor for significantly intense reflections	0.0258
Weighted residual factors for significantly intense reflections	0.0577
Weighted residual factors for all reflections included in the refinement	0.0621
Goodness-of-fit parameter for all reflections included in the refinement	1.096
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.	7000311.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7000311.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7000311.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7000311.cif