Crystallography Open Database

Information card for entry 4088850

Preview

Coordinates	4088850.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H28 Au Cl4 F6 N2 Sb
Calculated formula	C38 H28 Au Cl4 F6 N2 Sb
SMILES	[Au]12([N](=C(C(=[N]1c1cccc3cccc(c13)c1cc(Cl)cc(Cl)c1)C)C)c1cccc3cccc(c13)c1cc(Cl)cc(Cl)c1)[CH2]=[CH2]2.[Sb](F)(F)(F)(F)([F-])F
Title of publication	Synthesis and Properties of "Sandwich" Diimine-Coinage Metal Ethylene Complexes.
Authors of publication	Klimovica, Kristine; Kirschbaum, Kristin; Daugulis, Olafs
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	17
Pages of publication	2938 - 2943
a	17.6898 ± 0.001 Å
b	12.1398 ± 0.0007 Å
c	17.9911 ± 0.001 Å
α	90°
β	100.331 ± 0.0008°
γ	90°
Cell volume	3801 ± 0.4 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0734
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.1274
Weighted residual factors for all reflections included in the refinement	0.1424
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
237854 (current)	2019-11-24	cif/ Adding structures of 4088848, 4088849, 4088850 via cif-deposit CGI script.	4088850.cif