Crystallography Open Database

Information card for entry 7707923

Preview

Coordinates	7707923.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H3 I N3 O3 Rb
Calculated formula	C3 H3 I 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	7.4445 ± 0.0003 Å
b	8.2726 ± 0.0005 Å
c	13.7915 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	849.35 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0629
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.0624
Weighted residual factors for all reflections included in the refinement	0.0713
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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.	7707923.cif
267777	2021-07-28	cif/ Adding structures of 7707922, 7707923, 7707924 via cif-deposit CGI script.	7707923.cif