Crystallography Open Database

Information card for entry 4519184

4519183 << 4519184 >> 4519185

Preview

Coordinates	4519184.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H24 F10 N O4 P S2
Calculated formula	C26 H24 F10 N O4 P S2
Title of publication	Developing Structural First Principles for Alkylated Triphenylphosphonium-Based Ionic Liquids
Authors of publication	O’Rourke, Brianna; Lauderback, Clare; Teodoro, Lara I.; Grimm, Morgan; Zeller, Matthias; Mirjafari, Arsalan; Guillet, Gary L.; Hillesheim, Patrick C.
Journal of publication	ACS Omega
Year of publication	2021
Journal volume	6
Journal issue	47
Pages of publication	32285 - 32296
a	9.4948 ± 0.0013 Å
b	10.1971 ± 0.001 Å
c	15.507 ± 0.0019 Å
α	85.995 ± 0.005°
β	84.791 ± 0.012°
γ	89.282 ± 0.01°
Cell volume	1491.5 ± 0.3 Å³
Cell temperature	102 K
Ambient diffraction temperature	102 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0782
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.0906
Weighted residual factors for all reflections included in the refinement	0.0981
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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