Crystallography Open Database

Information card for entry 7708383

Preview

Coordinates	7708383.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H48 Au3 Cl Fe2 N18 O11
Calculated formula	C66 H48 Au3 Cl1.0002 Fe2 N18 O10.9998
Title of publication	On the nature of recurrent Au···π motifs in tris(2,2’-bipyridine)M(II) (M = Fe, Co and Ni) dicyanoaurate(I) salts: X-ray analysis and theoretical rationalization
Authors of publication	Priola, Emanuele; Giordana, Alessia; Mazzeo, Paolo Pio; Mahmoudi, Ghodrat; Gomila, Rosa Maria; Zubkov, Fedor Ivanovich; Pokazeev, Kuzma M.; Valchuk, karine S.; Bacchi, Alessia; Zangrando, Ennio; Frontera, Antonio
Journal of publication	Dalton Transactions
Year of publication	2021
a	16.6981 ± 0.0005 Å
b	16.6981 ± 0.0005 Å
c	22.3503 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	5396.9 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1089
Residual factor for significantly intense reflections	0.0586
Weighted residual factors for significantly intense reflections	0.1133
Weighted residual factors for all reflections included in the refinement	0.134
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
269231 (current)	2021-09-22	cif/ Adding structures of 7708383, 7708384, 7708385 via cif-deposit CGI script.	7708383.cif