Crystallography Open Database

Information card for entry 7241437

Preview

Coordinates	7241437.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H18 Au Cl5 F15 P
Calculated formula	C43 H18 Au Cl5 F15 P
SMILES	[Au](Cl)(Cl)([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.ClC(Cl)Cl
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	14.723 ± 0.002 Å
b	12.174 ± 0.0018 Å
c	24.203 ± 0.004 Å
α	90°
β	99.761 ± 0.003°
γ	90°
Cell volume	4275.3 ± 1.1 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0489
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.0935
Weighted residual factors for all reflections included in the refinement	0.0976
Goodness-of-fit parameter for all reflections included in the refinement	0.999
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.	7241437.cif