Crystallography Open Database

Information card for entry 7712654

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Coordinates	7712654.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H7 N11 O6
Calculated formula	C4 H7 N11 O6
Title of publication	Triazene Bridged Energetic Materials Based on Nitrotriazole: Synthesis, Characterization and Laser Ignited Combustion Performance
Authors of publication	Jiang, Xiue; Yang, Yalin; Du, Huiying; Yang, Bo; Tang, Pengfei; Wu, Bo; Ma, Congming
Journal of publication	Dalton Transactions
Year of publication	2023
a	10.4637 ± 0.0005 Å
b	16.3279 ± 0.0007 Å
c	6.8604 ± 0.0003 Å
α	90°
β	101.482 ± 0.002°
γ	90°
Cell volume	1148.64 ± 0.09 Å³
Cell temperature	146 ± 2 K
Ambient diffraction temperature	146 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0376
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0855
Weighted residual factors for all reflections included in the refinement	0.089
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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