Crystallography Open Database

Information card for entry 1570516

Preview

Coordinates	1570516.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H4 Br2 Cu N8 O6
Calculated formula	C4 H4 Br2 Cu N8 O6
Title of publication	A three-dimensional energetic coordination compound (BLG-1) with excellent initiating ability for lead-free primary explosives.
Authors of publication	Lei, Guorong; Cheng, Wenchuan; Lu, Zujia; Zhang, Tonglai; Li, Zhimin; Zhang, Jianguo
Journal of publication	Materials horizons
Year of publication	2023
Journal volume	10
Journal issue	12
Pages of publication	5775 - 5781
a	9.3556 ± 0.0009 Å
b	6.8168 ± 0.0007 Å
c	9.3773 ± 0.0008 Å
α	90°
β	93.497 ± 0.002°
γ	90°
Cell volume	596.93 ± 0.1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
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	0.0428
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.0969
Weighted residual factors for all reflections included in the refinement	0.0984
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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