Crystallography Open Database

Information card for entry 4349772

Preview

Coordinates	4349772.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H21 Au F5 N2 P
Calculated formula	C34 H21 Au F5 N2 P
SMILES	c1(c(c(c(c(c1F)F)F)F)F)[Au][P](c1ccc(cc1)c1cnc(cc1)c1ccccn1)(c1ccccc1)c1ccccc1
Title of publication	Synthesis, photophysical properties and cation-binding studies of bipyridine-functionalized gold(i) complexes
Authors of publication	Solovyev, Igor V.; Kondinski, Aleksandar; Monakhov, Kirill Yu.; Koshevoy, Igor O.; Grachova, Elena V.
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2018
Journal volume	5
Journal issue	1
Pages of publication	160
a	12.5244 ± 0.0008 Å
b	16.115 ± 0.0011 Å
c	14.6106 ± 0.001 Å
α	90°
β	102.486 ± 0.001°
γ	90°
Cell volume	2879.1 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0592
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0703
Weighted residual factors for all reflections included in the refinement	0.0774
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
235816 (current)	2019-11-24	cif/ Adding structures of 4349769, 4349770, 4349771, 4349772 via cif-deposit CGI script.	4349772.cif