Crystallography Open Database

Information card for entry 1557760

Preview

Coordinates	1557760.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H11 S3 Sb
Calculated formula	C6 H11 S3 Sb
SMILES	[Sb]12SCC(CS1)(CS2)CC
Title of publication	Self-assembly of reversed bilayer vesicles through pnictogen bonding: water-stable supramolecular nanocontainers for organic solvents
Authors of publication	Moaven, Shiva; Watson, Brandon T.; Thompson, Shelby B.; Lyons, Veronica J.; Unruh, Daniel K.; Casadonte, Dominick J.; Pappas, Dimitri; Cozzolino, Anthony F.
Journal of publication	Chemical Science
Year of publication	2020
Journal volume	11
Journal issue	17
Pages of publication	4374 - 4380
a	7.5797 ± 0.0007 Å
b	9.1057 ± 0.0009 Å
c	27.371 ± 0.003 Å
α	90°
β	95.218 ± 0.001°
γ	90°
Cell volume	1881.3 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0212
Residual factor for significantly intense reflections	0.0178
Weighted residual factors for significantly intense reflections	0.0412
Weighted residual factors for all reflections included in the refinement	0.0429
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
257318 (current)	2020-10-06	cif/ Updating files of 1557760 Original log message: Adding full bibliography for 1557760.cif.	1557760.cif
252724	2020-06-05	cif/ Updating files of 1557760 Original log message: Adding full bibliography for 1557760.cif.	1557760.cif
250576	2020-04-10	cif/ Adding structures of 1557760 via cif-deposit CGI script.	1557760.cif