Crystallography Open Database

Information card for entry 7247101

Preview

Coordinates	7247101.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H10 N10
Calculated formula	C5 H10 N10
SMILES	n1nc(n(N)c1Cn1nc(nc1N)N)N
Title of publication	Cupric coordination compounds with multiple anions: a promising strategy for the regulation of energetic materials
Authors of publication	Xia, Liang-hong; Wang, Yan-na; Yang, Xiao-ming; Liang, Lin-na; Li, Zhi-min; Zhang, Tong-lai
Journal of publication	RSC Advances
Year of publication	2023
Journal volume	13
Journal issue	32
Pages of publication	22549 - 22558
a	7.7917 ± 0.0007 Å
b	10.5981 ± 0.0009 Å
c	20.3073 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	1676.9 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0814
Residual factor for significantly intense reflections	0.0652
Weighted residual factors for significantly intense reflections	0.1575
Weighted residual factors for all reflections included in the refinement	0.1675
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7247101.html