Crystallography Open Database

Information card for entry 1577304

Preview

Coordinates	1577304.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56.5 H81.5 Au Cl3 F6 N4.5 O6 P4 S2
Calculated formula	C56.5 H81.5 Au Cl3 F6 N4.5 O6 P4 S2
Title of publication	Imidazoliumyl-Substituted Di-and Iso-Tetraphosphanes and Their Metal-Mediated Fragmentation Reactions
Authors of publication	Fidelius, Jannis; Taube, Clemens; Schwedtmann, Kai; Hennersdorf, Felix; Gomila, Rosa Maria; Frontera, Antonio; Wolf, Robert; Weigand, Jan J.
Journal of publication	Chemical Science
Year of publication	2026
a	25.5676 ± 0.0007 Å
b	16.6234 ± 0.0003 Å
c	17.359 ± 0.0004 Å
α	90°
β	109.614 ± 0.003°
γ	90°
Cell volume	6949.8 ± 0.3 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	9
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0571
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.1281
Weighted residual factors for all reflections included in the refinement	0.1331
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
306115 (current)	2026-05-29	cif/ Adding structures of 1577304, 1577305, 1577306, 1577307, 1577308, 1577309, 1577310, 1577311, 1577312, 1577313, 1577314, 1577315, 1577316 via cif-deposit CGI script.	1577304.cif