Crystallography Open Database

Information card for entry 7241439

Preview

Coordinates	7241439.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H16 Au Cl5 F13 P
Calculated formula	C37 H16 Au Cl5 F13 P
SMILES	[Au](Cl)(Cl)([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.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	10.384 ± 0.0004 Å
b	15.1675 ± 0.0006 Å
c	24.3914 ± 0.001 Å
α	90°
β	96.95 ± 0.004°
γ	90°
Cell volume	3813.4 ± 0.3 Å³
Cell temperature	200.1 ± 0.3 K
Ambient diffraction temperature	200 ± 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	0.0474
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0694
Weighted residual factors for all reflections included in the refinement	0.0733
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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.	7241439.cif