Crystallography Open Database

Information card for entry 1551175

Preview

Coordinates	1551175.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39.44 H66.01 Cl3.37 F9 N6.88 O9 P7 S3
Calculated formula	C39.4425 H66.0065 Cl3.371 F9 N6.8785 O9 P7 S3
Title of publication	Formation of an imidazoliumyl-substituted [(LC)4P4]4+ tetracation and transition metal mediated fragmentation and insertion reaction (LC = NHC)
Authors of publication	Weigand, Jan J.; Schwedtmann, Kai; Haberstroh, Jan; Roediger, Sven; Hennersdorf, Felix; Frontera, Antonio; Bauza, Antonio
Journal of publication	Chemical Science
Year of publication	2019
a	13.83853 ± 0.00013 Å
b	17.90754 ± 0.00017 Å
c	27.296 ± 0.0002 Å
α	101.396 ± 0.0007°
β	103.333 ± 0.0008°
γ	104.366 ± 0.0008°
Cell volume	6138.79 ± 0.1 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0466
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.1247
Weighted residual factors for all reflections included in the refinement	0.1262
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
215615 (current)	2019-05-31	cif/ Adding structures of 1551172, 1551173, 1551174, 1551175, 1551176, 1551177, 1551178, 1551179 via cif-deposit CGI script.	1551175.cif