Crystallography Open Database

Information card for entry 7135625

Preview

Coordinates	7135625.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H7 Cl4 I N2
Calculated formula	C5 H7 Cl4 I N2
Title of publication	[ICl4]-: A Large Anisotropic Planar Anion Group Produces Giant Birefringence
Authors of publication	Liu, Yi-Chen; Zhang, Ming-Zhi; Hu, Chun-Li; Mao, Jiang-Gao
Journal of publication	Chemical Communications
Year of publication	2026
a	4.0937 ± 0.0005 Å
b	11.9204 ± 0.0015 Å
c	11.025 ± 0.0016 Å
α	90°
β	93.656 ± 0.011°
γ	90°
Cell volume	536.91 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0482
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.0813
Weighted residual factors for all reflections included in the refinement	0.0886
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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