Crystallography Open Database

Information card for entry 7709706

Preview

Coordinates	7709706.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H40.03 Au2 Cl4 F12 N3 O14
Calculated formula	C49 H40 Au2 Cl4 F12 N3 O14
Title of publication	Synthesis of substituted (N,C) and (N,C,C) Au(iii) complexes: the influence of sterics and electronics on cyclometalation reactions
Authors of publication	Hylland, Knut T.; Schmidtke, Inga L.; Wragg, David S.; Nova, Ainara; Tilset, Mats
Journal of publication	Dalton Transactions
Year of publication	2022
a	11.978 ± 0.002 Å
b	14.129 ± 0.003 Å
c	16.804 ± 0.004 Å
α	86.73 ± 0.005°
β	82.867 ± 0.005°
γ	76.625 ± 0.004°
Cell volume	2744.1 ± 1 Å³
Cell temperature	99.9 K
Ambient diffraction temperature	99.9 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1224
Residual factor for significantly intense reflections	0.0905
Weighted residual factors for significantly intense reflections	0.2123
Weighted residual factors for all reflections included in the refinement	0.233
Goodness-of-fit parameter for all reflections included in the refinement	1.286
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
273574 (current)	2022-03-10	cif/ Adding structures of 7709694, 7709695, 7709696, 7709697, 7709698, 7709699, 7709700, 7709701, 7709702, 7709703, 7709704, 7709705, 7709706, 7709707 via cif-deposit CGI script.	7709706.cif