Crystallography Open Database

Information card for entry 2311392

Preview

Coordinates	2311392.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Dichlorido(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')gold(III) hexafluoridophosphate
Formula	C12 H8 Au Cl2 F6 N2 P
Calculated formula	C12 H8 Au Cl2 F6 N2 P
SMILES	[Au]1([n]2c3c4[n]1cccc4ccc3ccc2)(Cl)Cl.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Synthesis and crystal structure of di-chlorido-(1,10-phenanthroline-κ<sup>2</sup><i>N</i>,<i>N</i>')gold(III) hexa-fluorido-phosphate.
Authors of publication	Ferraz de Paiva, Raphael Enoque; Nakahata, Douglas Hideki; Corbi, Pedro Paulo
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2017
Journal volume	73
Journal issue	Pt 7
Pages of publication	1048 - 1051
a	12.9983 ± 0.0007 Å
b	15.2709 ± 0.001 Å
c	15.5153 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	3079.7 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0273
Residual factor for significantly intense reflections	0.019
Weighted residual factors for significantly intense reflections	0.0381
Weighted residual factors for all reflections included in the refinement	0.0399
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
245848 (current)	2019-12-25	cif/ Adding structures of 2311392 via cif-deposit CGI script.	2311392.cif