Crystallography Open Database

Information card for entry 7241436

Preview

Coordinates	7241436.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H15 Au F13 P
Calculated formula	C36 H15 Au F13 P
SMILES	[Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1c(c(F)c(F)c(F)c1c1c(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	13.8553 ± 0.0013 Å
b	14.7279 ± 0.0014 Å
c	17.3368 ± 0.0016 Å
α	77.107 ± 0.002°
β	69.802 ± 0.002°
γ	85.275 ± 0.002°
Cell volume	3236.4 ± 0.5 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0523
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.0969
Weighted residual factors for all reflections included in the refinement	0.1033
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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.	7241436.cif