Crystallography Open Database

Information card for entry 7231975

7231974 << 7231975 >> 7231976

Preview

Coordinates	7231975.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 N8 O4 Rb2
Calculated formula	C2 N8 O4 Rb2
Title of publication	Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials
Authors of publication	Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	4
Pages of publication	765
a	9.1059 ± 0.0018 Å
b	11.496 ± 0.002 Å
c	9.1102 ± 0.0018 Å
α	90°
β	110.86 ± 0.03°
γ	90°
Cell volume	891.2 ± 0.3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153.15 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	0.0513
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.0984
Weighted residual factors for all reflections included in the refinement	0.1042
Goodness-of-fit parameter for all reflections included in the refinement	1.237
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
223583 (current)	2019-11-07	cif/ Updating files of 7231971, 7231972, 7231973, 7231974, 7231975, 7231976, 7231977, 7231978 Original log message: Adding full bibliography for 7231971--7231978.cif.	7231975.cif
212492	2018-12-09	cif/ Adding structures of 7231971, 7231972, 7231973, 7231974, 7231975, 7231976, 7231977, 7231978 via cif-deposit CGI script.	7231975.cif