Crystallography Open Database

Information card for entry 4081323

Preview

Coordinates	4081323.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26.67 H36.67 Au B Cl4 F4 N4
Calculated formula	C26.6667 H36.6667 Au B Cl4 F4 N4
Title of publication	Detailed Structural, Spectroscopic, and Electrochemical Trends of Halido Mono- and Bis(NHC) Complexes of Au(I) and Au(III)
Authors of publication	Huynh, Han Vinh; Guo, Shuai; Wu, Wenqin
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	16
Pages of publication	4591
a	40.5846 ± 0.0015 Å
b	10.9152 ± 0.0004 Å
c	25.3892 ± 0.0009 Å
α	90°
β	116.748 ± 0.001°
γ	90°
Cell volume	10043.6 ± 0.6 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0553
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.0878
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	Yes
Has F_obs	No

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