Crystallography Open Database

Information card for entry 7063548

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Coordinates	7063548.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[C4(OH)OF2][SbF6]
Chemical name	protonated Acetylenedicarbonyl Fluoride
Formula	C4 H F8 O2 Sb
Calculated formula	C4 H F8 O2 Sb
Title of publication	Structures and properties of the mono- and diprotonated species of acetylenedicarbonyl fluoride
Authors of publication	Hollenwäger, Dirk; Nitzer, Alexander; Leitz, Dominik; Kornath, Andreas J.
Journal of publication	New Journal of Chemistry
Year of publication	2024
a	7.68 ± 0.0008 Å
b	7.9588 ± 0.0007 Å
c	8.2202 ± 0.0007 Å
α	102.824 ± 0.007°
β	104.736 ± 0.008°
γ	110.992 ± 0.009°
Cell volume	425.53 ± 0.08 Å³
Cell temperature	101 ± 2 K
Ambient diffraction temperature	101 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0413
Residual factor for significantly intense reflections	0.0335
Weighted residual factors for significantly intense reflections	0.0807
Weighted residual factors for all reflections included in the refinement	0.0836
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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