Crystallography Open Database

Information card for entry 7232837

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Coordinates	7232837.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H12 N26 O4
Calculated formula	C8 H12 N26 O4
Title of publication	From BTO2− to HBTO− insensitive energetic salt: a route to boost energy
Authors of publication	Xu, Yuangang; Li, Dongxue; Lin, Qiuhan; Wang, Pengcheng; Lu, Ming
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	25
Pages of publication	3873
a	6.4179 ± 0.0005 Å
b	7.4575 ± 0.0005 Å
c	10.8598 ± 0.0008 Å
α	74.881 ± 0.005°
β	74.297 ± 0.005°
γ	88.026 ± 0.006°
Cell volume	482.68 ± 0.06 Å³
Cell temperature	205 K
Ambient diffraction temperature	205 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0902
Residual factor for significantly intense reflections	0.0579
Weighted residual factors for significantly intense reflections	0.1584
Weighted residual factors for all reflections included in the refinement	0.1748
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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