Crystallography Open Database

Information card for entry 7241441

Preview

Coordinates	7241441.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H17 Au F15 P
Calculated formula	C42 H17 Au F15 P
SMILES	[Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1c(cc(cc1c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
Title of publication	Halogen bonding between entirely negative fluorine atoms? Evidence from the crystal packing of some gold(i) and gold(iii) complexes with extensively fluorinated m-terphenyl ligands and triphenylphosphane
Authors of publication	Sava, Alexandru; Kegyes, Krisztina T.; Popuş, Bianca T.; Dan, Bernadette C.; Silvestru, Cristian; Raţ, Ciprian I.
Journal of publication	CrystEngComm
Year of publication	2020
a	22.855 ± 0.006 Å
b	18.306 ± 0.005 Å
c	18.508 ± 0.005 Å
α	90°
β	107.093 ± 0.005°
γ	90°
Cell volume	7401 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0905
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for significantly intense reflections	0.1069
Weighted residual factors for all reflections included in the refinement	0.1164
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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
259281 (current)	2020-11-29	cif/ Adding structures of 7241436, 7241437, 7241438, 7241439, 7241440, 7241441 via cif-deposit CGI script.	7241441.cif