Crystallography Open Database

Information card for entry 4132120

Preview

Coordinates	4132120.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Au3(triphos)2](Otf)3 4toluene, H2O
Formula	C99 H100 Au3 F9 O10 P6 S3
Calculated formula	C99 H100 Au3 F9 O10 P6 S3
Title of publication	Utilization of a Nonemissive Triphosphine Ligand to Construct a Luminescent Gold(I)-Box That Undergoes Mechanochromic Collapse into a Helical Complex.
Authors of publication	Walters, Daniel T.; Aghakhanpour, Reza Babadi; Powers, Xian B.; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Balch, Alan L.
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	24
Pages of publication	7533 - 7542
a	13.9411 ± 0.0007 Å
b	16.4211 ± 0.0008 Å
c	21.984 ± 0.002 Å
α	101.193 ± 0.002°
β	98.197 ± 0.002°
γ	96.808 ± 0.002°
Cell volume	4830.9 ± 0.6 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0263
Residual factor for significantly intense reflections	0.0228
Weighted residual factors for significantly intense reflections	0.0536
Weighted residual factors for all reflections included in the refinement	0.0549
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
242163 (current)	2019-11-26	cif/ Adding structures of 4132120 via cif-deposit CGI script.	4132120.cif