Crystallography Open Database

Information card for entry 4085869

Preview

Coordinates	4085869.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H28 Au2 F12 N8 O3 P2
Calculated formula	C20 H28 Au2 F12 N8 O3 P2
SMILES	C12N(C)C=CN1C(N1C(N(C)C=C1)=[Au]=C1N(C(N3C(=[Au]=2)N(C=C3)C)CO)C=CN1C)CO.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O
Title of publication	Spectroscopic and Structural Properties of Bridge-Functionalized Dinuclear Coinage-Metal (Cu, Ag, and Au) NHC Complexes: A Comparative Study
Authors of publication	Zhong, Rui; Pöthig, Alexander; Mayer, David C.; Jandl, Christian; Altmann, Philipp J.; Herrmann, Wolfgang A.; Kühn, Fritz E.
Journal of publication	Organometallics
Year of publication	2015
Pages of publication	150128111349001
a	13.346 ± 0.0004 Å
b	15.9879 ± 0.0004 Å
c	16.7956 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	3583.75 ± 0.18 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	7
Space group number	46
Hermann-Mauguin space group symbol	I m a 2
Hall space group symbol	I 2 -2a
Residual factor for all reflections	0.0143
Residual factor for significantly intense reflections	0.0133
Weighted residual factors for significantly intense reflections	0.0292
Weighted residual factors for all reflections included in the refinement	0.0295
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation probe	x-ray
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
136850 (current)	2015-05-18	cif/ Adding structures of 4085867, 4085868, 4085869 via cif-deposit CGI script.	4085869.cif