Crystallography Open Database

Information card for entry 7041111

Preview

Coordinates	7041111.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H6 N10 O2
Calculated formula	C2 H6 N10 O2
SMILES	n1(nnnc1c1n(nnn1)[O-])[O-].[NH3+][NH3+]
Title of publication	Hydrazine 5,5'-bitetrazole-1,1'-diolate: a promising high density energetic salt with good properties.
Authors of publication	Zhang, Zhi-Bin; Xu, Cai-Xia; Yin, Xin; Zhang, Jian-Guo
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	47
Pages of publication	19045 - 19052
a	4.751 ± 0.0003 Å
b	5.9102 ± 0.0004 Å
c	6.7024 ± 0.0005 Å
α	98.682 ± 0.001°
β	90.702 ± 0.001°
γ	109.077 ± 0.002°
Cell volume	175.44 ± 0.02 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0511
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.1369
Weighted residual factors for all reflections included in the refinement	0.1401
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
190198 (current)	2017-01-09	cif/ Updating files of 7041111, 7041112 Original log message: Adding full bibliography for 7041111--7041112.cif.	7041111.cif
188025	2016-11-08	cif/ Adding structures of 7041111, 7041112 via cif-deposit CGI script.	7041111.cif