Crystallography Open Database

Information card for entry 7243074

Preview

Coordinates	7243074.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H19 N21 O6
Calculated formula	C4 H19 N21 O6
Title of publication	Imino-bridged N-rich energetic materials: C4H3N17 and their derivatives assembled from the powerful combination of four tetrazoles
Authors of publication	Liu, Yifei; Dong, Zhen; Yang, Rui; Li, Haiyan; Liu, Yaxin; Ye, Zhiwen
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	31
Pages of publication	5377 - 5384
a	7.3804 ± 0.0003 Å
b	11.4595 ± 0.0005 Å
c	11.8445 ± 0.0005 Å
α	64.029 ± 0.001°
β	81.549 ± 0.002°
γ	89.905 ± 0.001°
Cell volume	888.6 ± 0.07 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0549
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.0978
Weighted residual factors for all reflections included in the refinement	0.1049
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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