Crystallography Open Database

Information card for entry 7710901

Preview

Coordinates	7710901.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H21 As Cl4 O5
Calculated formula	C27 H21 As Cl4 O5
SMILES	[As]1(Oc2c(O1)c(Cl)c(Cl)c(Cl)c2Cl)(c1ccc(OC)cc1)(c1ccc(OC)cc1)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	10.0471 ± 0.0003 Å
b	12.849 ± 0.0005 Å
c	21.2792 ± 0.0007 Å
α	92.495 ± 0.003°
β	97.124 ± 0.003°
γ	99.593 ± 0.003°
Cell volume	2681.93 ± 0.16 Å³
Cell temperature	93.15 K
Ambient diffraction temperature	93.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.068
Residual factor for significantly intense reflections	0.0568
Weighted residual factors for significantly intense reflections	0.1457
Weighted residual factors for all reflections included in the refinement	0.1599
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
296876 (current)	2024-12-16	cif/7: Fixing Z values and formulae	7710901.cif
277059	2022-08-04	cif/ Adding structures of 7710897, 7710898, 7710899, 7710900, 7710901, 7710902, 7710903, 7710904, 7710905, 7710906, 7710907, 7710908 via cif-deposit CGI script.	7710901.cif