Crystallography Open Database

Information card for entry 7700458

Preview

Coordinates	7700458.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H6 N11 O2
Calculated formula	C5 H6 N11 O2
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	7.4215 ± 0.0005 Å
b	9.2025 ± 0.0006 Å
c	13.7986 ± 0.0009 Å
α	90°
β	98.745 ± 0.002°
γ	90°
Cell volume	931.44 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0623
Residual factor for significantly intense reflections	0.0609
Weighted residual factors for significantly intense reflections	0.1995
Weighted residual factors for all reflections included in the refinement	0.2009
Goodness-of-fit parameter for all reflections included in the refinement	1.123
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
224375 (current)	2019-11-08	cif/ Updating files of 7700455, 7700456, 7700457, 7700458, 7700459 Original log message: Adding full bibliography for 7700455--7700459.cif.	7700458.cif
216766	2019-07-05	cif/ Adding structures of 7700455, 7700456, 7700457, 7700458, 7700459 via cif-deposit CGI script.	7700458.cif