Crystallography Open Database

Information card for entry 4131822

Preview

Coordinates	4131822.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H36 Au2 F6 P2
Calculated formula	C50 H36 Au2 F6 P2
Title of publication	Phosphorescence Control Mediated by Molecular Rotation and Aurophilic Interactions in Amphidynamic Crystals of 1,4-Bis[tri-(p-fluorophenyl)phosphane-gold(I)-ethynyl]benzene.
Authors of publication	Jin, Mingoo; Chung, Tim S.; Seki, Tomohiro; Ito, Hajime; Garcia-Garibay, Miguel A
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	49
Pages of publication	18115 - 18121
a	31.414 ± 0.003 Å
b	14.5653 ± 0.0013 Å
c	19.2042 ± 0.0017 Å
α	90°
β	96.824 ± 0.002°
γ	90°
Cell volume	8724.7 ± 1.4 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	5
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	0.1603
Residual factor for significantly intense reflections	0.0646
Weighted residual factors for significantly intense reflections	0.1608
Weighted residual factors for all reflections included in the refinement	0.2038
Goodness-of-fit parameter for all reflections included in the refinement	0.972
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
241957 (current)	2019-11-25	cif/ Adding structures of 4131809, 4131810, 4131811, 4131812, 4131813, 4131814, 4131815, 4131816, 4131817, 4131818, 4131819, 4131820, 4131821, 4131822 via cif-deposit CGI script.	4131822.cif