Crystallography Open Database

Information card for entry 1518741

Preview

Coordinates	1518741.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H42 As3 Cl3 S6
Calculated formula	C30 H42 As3 Cl3 S6
SMILES	[As]1(Cl)SCc2c(c3CS[As](Cl)SCc4c(c(CS1)c(CC)c(CS[As](Cl)SCc(c3CC)c2CC)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	16.413 ± 0.002 Å
b	16.413 ± 0.002 Å
c	23.8 ± 0.006 Å
α	90°
β	90°
γ	120°
Cell volume	5552.4 ± 1.7 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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	0.0731
Residual factor for significantly intense reflections	0.0671
Weighted residual factors for significantly intense reflections	0.2213
Weighted residual factors for all reflections included in the refinement	0.229
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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