Crystallography Open Database

Information card for entry 4132119

Preview

Coordinates	4132119.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Au6(triphos)4](SbF6)5Cl.(toluene)7
Formula	C185 H188 Au6 Cl F30 P12 Sb5
Calculated formula	C185 H188 Au6 Cl F30 P12 Sb5
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	35.3414 ± 0.0019 Å
b	33.4913 ± 0.0016 Å
c	16.0576 ± 0.0008 Å
α	90°
β	92.322 ± 0.001°
γ	90°
Cell volume	18990.6 ± 1.7 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0545
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.0856
Weighted residual factors for all reflections included in the refinement	0.0922
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
242162 (current)	2019-11-26	cif/ Adding structures of 4132119 via cif-deposit CGI script.	4132119.cif