Crystallography Open Database

Information card for entry 7236326

Preview

Coordinates	7236326.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H6 N10 O4
Calculated formula	C5 H6 N10 O4
Title of publication	Asymmetric N,N′-ethylene-bridged azole-based compounds: Two way control of the energetic properties of compounds
Authors of publication	Kumar, Dheeraj; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.
Journal of publication	Journal of Materials Chemistry A
Year of publication	2016
Journal volume	4
Journal issue	25
Pages of publication	9931
a	7.9667 ± 0.0005 Å
b	12.8656 ± 0.0009 Å
c	10.6222 ± 0.0007 Å
α	90°
β	108.131 ± 0.002°
γ	90°
Cell volume	1034.68 ± 0.12 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0595
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.0812
Weighted residual factors for all reflections included in the refinement	0.0903
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7236326.html