Crystallography Open Database

Information card for entry 4501765

Preview

Coordinates	4501765.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H24 As2 Cl2 S4
Calculated formula	C20 H24 As2 Cl2 S4
SMILES	S1[As](Cl)SCCc2ccc(cc2)CCS[As](SCCc2ccc(cc2)CC1)Cl
Title of publication	Design Considerations for the Group 15 Elements: The Pnictogen···π Interaction As a Complementary Component in Supramolecular Assembly Design
Authors of publication	Cangelosi, Virginia M.; Pitt, Melanie A.; Vickaryous, W. Jake; Allen, Corinne A.; Zakharov, Lev N.; Johnson, Darren W.
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	8
Pages of publication	3531
a	8.8381 ± 0.0009 Å
b	11.7662 ± 0.0012 Å
c	23.36 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2429.2 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0502
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0688
Weighted residual factors for all reflections included in the refinement	0.0801
Goodness-of-fit parameter for all reflections included in the refinement	1.12
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
179548 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/17.	4501765.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501765.cif
36095	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4501765 via cif-deposit CGI script.	4501765.cif