Crystallography Open Database

Information card for entry 1518739

Preview

Coordinates	1518739.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H24 Cl3 S6 Sb3
Calculated formula	C18 H18 Cl3 S6 Sb3
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	14.2066 ± 0.0008 Å
b	14.2066 ± 0.0008 Å
c	33.41 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	5839.7 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0597
Residual factor for significantly intense reflections	0.0532
Weighted residual factors for significantly intense reflections	0.1446
Weighted residual factors for all reflections included in the refinement	0.1493
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	1518739.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.	1518739.cif
132038	2015-02-19	cif/ Adding structures of 1518738, 1518739, 1518740, 1518741, 1518742, 1518743 via cif-deposit CGI script.	1518739.cif