Crystallography Open Database

Information card for entry 7243078

Preview

Coordinates	7243078.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H18 N26
Calculated formula	C7 H18 N26
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	7.234 ± 0.0013 Å
b	10.5985 ± 0.0019 Å
c	13.966 ± 0.003 Å
α	70.681 ± 0.005°
β	89.167 ± 0.006°
γ	71.541 ± 0.005°
Cell volume	953.6 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0554
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.0971
Weighted residual factors for all reflections included in the refinement	0.1047
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

Version history

Revision	Date	Message	Files
268669 (current)	2021-09-06	cif/ Updating files of 7243073, 7243074, 7243075, 7243076, 7243077, 7243078 Original log message: Adding full bibliography for 7243073--7243078.cif.	7243078.cif
266547	2021-06-18	cif/ Adding structures of 7243073, 7243074, 7243075, 7243076, 7243077, 7243078 via cif-deposit CGI script.	7243078.cif