Crystallography Open Database

Information card for entry 7248932

Preview

Coordinates	7248932.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H8 N8 O
Calculated formula	C3 H8 N8 O
Title of publication	Constructing layered structure amidine-based pentazolate salts with low sensitivity
Authors of publication	Wang, Pengfei; Liu, Lile; Sun, Zebang; Qin, Feng; Shi, Lei; Gao, Chao; Du, Yang; Zhang, Chong; Hu, Bingcheng; Sun, Chengguo
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	30
Pages of publication	4114 - 4120
a	4.8465 ± 0.0004 Å
b	9.6906 ± 0.0007 Å
c	16.5974 ± 0.0012 Å
α	90°
β	92.765 ± 0.002°
γ	90°
Cell volume	778.6 ± 0.1 Å³
Cell temperature	273.15 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	4
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	0.0573
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.0929
Weighted residual factors for all reflections included in the refinement	0.1013
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
293801 (current)	2024-08-05	cif/ Updating files of 7248931, 7248932, 7248933, 7248934, 7248935, 7248936, 7248937 Original log message: Adding full bibliography for 7248931--7248937.cif.	7248932.cif
292707	2024-07-04	cif/ Adding structures of 7248931, 7248932, 7248933, 7248934, 7248935, 7248936, 7248937 via cif-deposit CGI script.	7248932.cif