Crystallography Open Database

Information card for entry 4349771

Preview

Coordinates	4349771.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H20 Au N3
Calculated formula	C27 H20 Au N3
SMILES	C([Au]C#[N]c1c(cccc1C)C)#Cc1ccc(cc1)c1cnc(cc1)c1ccccn1
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	15.9964 ± 0.0017 Å
b	7.9167 ± 0.0009 Å
c	34.774 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	4403.7 ± 0.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0656
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.0833
Weighted residual factors for all reflections included in the refinement	0.093
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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.	4349771.cif