Crystallography Open Database

Information card for entry 1577312

Preview

Coordinates	1577312.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H88 Cl8 F6 N4 O6 P4 Pd2 S2
Calculated formula	C76 H88 Cl8 F6 N4 O6 P4 Pd2 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	14.2227 ± 0.0002 Å
b	17.6707 ± 0.0001 Å
c	18.9439 ± 0.0001 Å
α	100.773 ± 0.001°
β	96.85 ± 0.001°
γ	108.284 ± 0.001°
Cell volume	4359.5 ± 0.08 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0412
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.1077
Weighted residual factors for all reflections included in the refinement	0.1098
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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.	1577312.cif