Crystallography Open Database

Information card for entry 7060275

Preview

Coordinates	7060275.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H4 N4 O2
Calculated formula	C3 H4 N4 O2
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	6.1158 ± 0.0007 Å
b	9.1928 ± 0.0009 Å
c	9.3984 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	528.39 ± 0.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.038
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.0889
Weighted residual factors for all reflections included in the refinement	0.0913
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
261737 (current)	2021-02-05	cif/ Updating files of 7060272, 7060273, 7060274, 7060275, 7060276, 7060277, 7060278 Original log message: Adding full bibliography for 7060272--7060278.cif.	7060275.cif
260971	2021-01-15	cif/ Adding structures of 7060272, 7060273, 7060274, 7060275, 7060276, 7060277, 7060278 via cif-deposit CGI script.	7060275.cif