Crystallography Open Database

Information card for entry 4134769

Preview

Coordinates	4134769.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H46 Au2 Cl6 N4 P2
Calculated formula	C46 H40 Au2 N4 P2
Title of publication	Excited State Turn-On of Aurophilicity and Tunability of Relativistic Effects in a Series of Digold Triazolates Synthesized via iClick.
Authors of publication	Zeman, Charles J.; Shen, Yu-Hsuan; Heller, Jessica; Abboud, Khalil A.; Schanze, Kirk S.; Veige, Adam S.
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
a	11.3232 ± 0.0005 Å
b	14.8436 ± 0.0006 Å
c	15.9362 ± 0.0007 Å
α	108.324 ± 0.0013°
β	110.093 ± 0.0011°
γ	91.327 ± 0.0013°
Cell volume	2361.95 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.029
Residual factor for significantly intense reflections	0.0269
Weighted residual factors for significantly intense reflections	0.0651
Weighted residual factors for all reflections included in the refinement	0.0673
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4134769.html