Crystallography Open Database

Information card for entry 1518742

Preview

Coordinates	1518742.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H30 Cl3 S6 Sb3
Calculated formula	C24 H30 Cl3 S6 Sb3
SMILES	[Sb]1(Cl)SCc2c(c3c(c(c2C)CS[Sb](Cl)SCc2c(c(c(c(c2C)CS1)C)CS[Sb](Cl)SC3)C)C)C
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	16.0971 ± 0.001 Å
b	11.4604 ± 0.0007 Å
c	16.3368 ± 0.001 Å
α	90°
β	91.867 ± 0.001°
γ	90°
Cell volume	3012.2 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0286
Residual factor for significantly intense reflections	0.0233
Weighted residual factors for significantly intense reflections	0.0553
Weighted residual factors for all reflections included in the refinement	0.0577
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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.	1518742.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.	1518742.cif
132038	2015-02-19	cif/ Adding structures of 1518738, 1518739, 1518740, 1518741, 1518742, 1518743 via cif-deposit CGI script.	1518742.cif