Crystallography Open Database

Information card for entry 1518743

Preview

Coordinates	1518743.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H42 Cl3 S6 Sb3
Calculated formula	C30 H42 Cl3 S6 Sb3
SMILES	[Sb]1(Cl)SCc2c(CC)c3CS[Sb](Cl)SCc4c(c(CS1)c(c(CS[Sb](Cl)SCc(c2CC)c3CC)c4CC)CC)CC
Title of publication	Self-assembled trinuclear arsenic and antimony macrobicycles
Authors of publication	Collins, Mary S.; Choi, Robert Y.; Zakharov, Lev N.; Watson, Lori A.; Hay, Benjamin P.; Johnson, Darren W.
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	4
Pages of publication	2444
a	16.458 ± 0.0006 Å
b	16.458 ± 0.0006 Å
c	23.9449 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	5616.9 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0294
Residual factor for significantly intense reflections	0.025
Weighted residual factors for significantly intense reflections	0.0679
Weighted residual factors for all reflections included in the refinement	0.0706
Goodness-of-fit parameter for all reflections included in the refinement	1.162
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1518743.cif
134893	2015-04-06	cif/ Updating files of 1518738, 1518739, 1518740, 1518741, 1518742, 1518743 Original log message: Adding full bibliography for 1518738--1518743.cif.	1518743.cif
132038	2015-02-19	cif/ Adding structures of 1518738, 1518739, 1518740, 1518741, 1518742, 1518743 via cif-deposit CGI script.	1518743.cif