Crystallography Open Database

Information card for entry 7710904

Preview

Coordinates	7710904.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H9 As Cl4 O2 S2
Calculated formula	C20 H9 As Cl4 O2 S2
SMILES	[As]12(Oc3c(Cl)c(Cl)c(Cl)c(Cl)c3O1)(c1c(scc1)c1sccc21)c1ccccc1
Title of publication	Tetrachlorocatecholates of triarylarsines as a novel class of Lewis acids
Authors of publication	Chishiro, Akane; Akioka, Ippei; Sumida, Akifumi; Oka, Kouki; Tonai, Norimitsu; Yumura, Takashi; Imoto, Hiroaki; Naka, Kensuke
Journal of publication	Dalton Transactions
Year of publication	2022
a	8.8878 ± 0.0005 Å
b	10.6388 ± 0.0004 Å
c	12.0109 ± 0.0005 Å
α	106.101 ± 0.003°
β	103.786 ± 0.004°
γ	98.692 ± 0.004°
Cell volume	1030.6 ± 0.09 Å³
Cell temperature	93.15 K
Ambient diffraction temperature	93.15 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0296
Residual factor for significantly intense reflections	0.0256
Weighted residual factors for significantly intense reflections	0.0603
Weighted residual factors for all reflections included in the refinement	0.0624
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation probe	x-ray
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
277059 (current)	2022-08-04	cif/ Adding structures of 7710897, 7710898, 7710899, 7710900, 7710901, 7710902, 7710903, 7710904, 7710905, 7710906, 7710907, 7710908 via cif-deposit CGI script.	7710904.cif