Crystallography Open Database

Information card for entry 7707922

Preview

Coordinates	7707922.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H3 Br N3 O3 Rb
Calculated formula	C3 H3 Br N3 O3 Rb
Title of publication	Co-crystal AX·(H<sub>3</sub>C<sub>3</sub>N<sub>3</sub>O<sub>3</sub>) (A = Na, Rb, Cs; X = Br, I): a series of strongly anisotropic alkali halide cyanurates with a planar structural motif and large birefringence.
Authors of publication	Wang, Jinhui; Zhang, Xinyuan; Liang, Fei; Hu, Zhanggui; Wu, Yicheng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	33
Pages of publication	11555 - 11561
a	6.7921 ± 0.0007 Å
b	8.5866 ± 0.0008 Å
c	12.858 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	749.89 ± 0.14 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 K
Number of distinct elements	6
Space group number	57
Hermann-Mauguin space group symbol	P b c m
Hall space group symbol	-P 2c 2b
Residual factor for all reflections	0.0554
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.0508
Weighted residual factors for all reflections included in the refinement	0.059
Goodness-of-fit parameter for all reflections included in the refinement	1.108
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
268747 (current)	2021-09-06	cif/ Updating files of 7707922, 7707923, 7707924 Original log message: Adding full bibliography for 7707922--7707924.cif.	7707922.cif
267777	2021-07-28	cif/ Adding structures of 7707922, 7707923, 7707924 via cif-deposit CGI script.	7707922.cif