Crystallography Open Database

Information card for entry 1577307

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Coordinates	1577307.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H50 F6 N4 O6 P2 S2
Calculated formula	C36 H50 F6 N4 O6 P2 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	7.96005 ± 0.00006 Å
b	12.02181 ± 0.00009 Å
c	22.34595 ± 0.00015 Å
α	90°
β	99.1657 ± 0.0006°
γ	90°
Cell volume	2111.07 ± 0.03 Å³
Cell temperature	200 ± 0.1 K
Ambient diffraction temperature	200 ± 0.1 K
Number of distinct elements	7
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	0.0395
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.1056
Weighted residual factors for all reflections included in the refinement	0.1066
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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

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