Crystallography Open Database

Information card for entry 7710898

Preview

Coordinates	7710898.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H9 As Cl4 F18 O2
Calculated formula	C30 H9 As Cl4 F18 O2
SMILES	[As]1(Oc2c(O1)c(Cl)c(Cl)c(Cl)c2Cl)(c1cc(C(F)(F)F)cc(c1)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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	10.6976 ± 0.0004 Å
b	23.8214 ± 0.0011 Å
c	13.1719 ± 0.0006 Å
α	90°
β	92.048 ± 0.004°
γ	90°
Cell volume	3354.5 ± 0.3 Å³
Cell temperature	93.15 K
Ambient diffraction temperature	93.15 K
Number of distinct elements	6
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	0.0701
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.131
Weighted residual factors for all reflections included in the refinement	0.1442
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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.	7710898.cif