Crystallography Open Database

Information card for entry 1577315

Preview

Coordinates	1577315.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H31 Cl F3 N2 O3 P S
Calculated formula	C18 H31 Cl F3 N2 O3 P S
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	12.93012 ± 0.00014 Å
b	10.76679 ± 0.00012 Å
c	16.9595 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2361.03 ± 0.05 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	8
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0405
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.1074
Weighted residual factors for all reflections included in the refinement	0.1081
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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.	1577315.cif