Crystallography Open Database

Information card for entry 7063547

Preview

Coordinates	7063547.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	C4O2F2
Chemical name	Acetylenedicarbonyl Fluoride
Formula	C4 F2 O2
Calculated formula	C4 F2 O2
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
Journal volume	48
Journal issue	48
Pages of publication	20140 - 20148
a	5.8699 ± 0.0002 Å
b	5.8699 ± 0.0002 Å
c	13.4589 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	463.74 ± 0.04 Å³
Cell temperature	99 ± 2 K
Ambient diffraction temperature	99 ± 2 K
Number of distinct elements	3
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0421
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0709
Weighted residual factors for all reflections included in the refinement	0.0732
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
297129 (current)	2025-01-06	cif/ Updating files of 7063547, 7063548, 7063549 Original log message: Adding full bibliography for 7063547--7063549.cif.	7063547.cif
296079	2024-11-23	cif/ Adding structures of 7063547, 7063548, 7063549 via cif-deposit CGI script.	7063547.cif