Crystallography Open Database

Information card for entry 7203695

7203694 << 7203695 >> 7203696

Preview

Coordinates	7203695.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H36 N3 S6 Sb
Calculated formula	C21 H36 N3 S6 Sb
SMILES	[Sb]1(SC(=S)N2CCCCCC2)(SC(=[S]1)N1CCCCCC1)SC(=S)N1CCCCCC1
Title of publication	Supramolecular associations in binary antimony(iii) dithiocarbamates: influence of ligand steric bulk, influence on coordination geometry, and competition with hydrogen-bonding
Authors of publication	Liu, Yu; Tiekink, Edward R. T.
Journal of publication	CrystEngComm
Year of publication	2005
Journal volume	7
Journal issue	2
Pages of publication	20
a	10.908 ± 0.0006 Å
b	13.5802 ± 0.0007 Å
c	18.8708 ± 0.001 Å
α	90°
β	99.305 ± 0.001°
γ	90°
Cell volume	2758.6 ± 0.3 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.135
Residual factor for significantly intense reflections	0.071
Weighted residual factors for significantly intense reflections	0.115
Weighted residual factors for all reflections included in the refinement	0.135
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180367 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/36.	7203695.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203695.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203695.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7203695.cif