Crystallography Open Database

Information card for entry 7710899

Preview

Coordinates	7710899.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H15 As Cl4 O3
Calculated formula	C25 H15 As Cl4 O3
SMILES	[As]12(Oc3c(O1)c(Cl)c(Cl)c(Cl)c3Cl)(c1c(c3c2cccc3)cccc1)c1ccc(OC)cc1
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	8.7641 ± 0.0003 Å
b	16.2724 ± 0.0006 Å
c	15.7928 ± 0.0005 Å
α	90°
β	94.801 ± 0.003°
γ	90°
Cell volume	2244.36 ± 0.13 Å³
Cell temperature	93.15 K
Ambient diffraction temperature	93.15 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	0.032
Residual factor for significantly intense reflections	0.0241
Weighted residual factors for significantly intense reflections	0.0561
Weighted residual factors for all reflections included in the refinement	0.0592
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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.	7710899.cif