Crystallography Open Database

Information card for entry 7060272

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Coordinates	7060272.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H6 N4 O4
Calculated formula	C3 H6 N4 O4
Title of publication	Methyl sydnone imine and its energetic salts
Authors of publication	Gettings, Matthew L.; Byrd, Edward F. C.; Zeller, Matthias; Piercey, Davin
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	4
Pages of publication	2228 - 2236
a	5.7481 ± 0.0006 Å
b	5.842 ± 0.0007 Å
c	9.9504 ± 0.0011 Å
α	90°
β	91.39 ± 0.005°
γ	90°
Cell volume	334.04 ± 0.06 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0377
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.1017
Weighted residual factors for all reflections included in the refinement	0.1045
Goodness-of-fit parameter for all reflections included in the refinement	1.146
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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