Crystallography Open Database

Information card for entry 7700455

Preview

Coordinates	7700455.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H20 N20 O6
Calculated formula	C12 H20 N20 O6
Title of publication	Novel strategies for synthesizing energetic materials based on BTO with improved performances.
Authors of publication	Zhang, Jinhao; Jin, Bo; Peng, Rufang; Niu, Chunhuan; Xiao, Lipengcheng; Guo, Zhicheng; Zhang, Qingchun
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	31
Pages of publication	11848 - 11854
a	3.7719 ± 0.0004 Å
b	10.4109 ± 0.001 Å
c	14.7027 ± 0.0019 Å
α	105.675 ± 0.01°
β	95.669 ± 0.009°
γ	98.072 ± 0.008°
Cell volume	544.69 ± 0.11 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.1324
Residual factor for significantly intense reflections	0.1073
Weighted residual factors for significantly intense reflections	0.2296
Weighted residual factors for all reflections included in the refinement	0.2572
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
224375 (current)	2019-11-08	cif/ Updating files of 7700455, 7700456, 7700457, 7700458, 7700459 Original log message: Adding full bibliography for 7700455--7700459.cif.	7700455.cif
216766	2019-07-05	cif/ Adding structures of 7700455, 7700456, 7700457, 7700458, 7700459 via cif-deposit CGI script.	7700455.cif