Crystallography Open Database

Information card for entry 7245598

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Coordinates	7245598.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H8 Cu2 N2 O11
Calculated formula	C7 H8 Cu2 N2 O11
Title of publication	NIR light-driving deflagration of energetic copper complexes through photothermal effect
Authors of publication	Tan, Bin; Chen, Chao; Chen, Yun-Rui; Zhang, Jie; Yang, Guo-Yu
Journal of publication	CrystEngComm
Year of publication	2022
a	6.9081 ± 0.0004 Å
b	8.0731 ± 0.0005 Å
c	11.5005 ± 0.0008 Å
α	105.515 ± 0.006°
β	92.979 ± 0.005°
γ	97.637 ± 0.005°
Cell volume	609.95 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0388
Residual factor for significantly intense reflections	0.0327
Weighted residual factors for significantly intense reflections	0.086
Weighted residual factors for all reflections included in the refinement	0.0912
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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