Crystallography Open Database

Information card for entry 7720937

7720936 << 7720937 >> 7720938

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Coordinates	7720937.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cl4 H12 I N3 Zn
Calculated formula	Cl4 H12 I N3 Zn
Title of publication	Broadband infrared-transparent crystals enabled by heterologous isomorphic substitution.
Authors of publication	Yang, Bo; Chen, Ziqi; Lu, Zhenjiang; Lu, Juanjuan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2026
a	7.1178 ± 0.0005 Å
b	16.7739 ± 0.0009 Å
c	9.9227 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1184.7 ± 0.12 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	5
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.0203
Residual factor for significantly intense reflections	0.0194
Weighted residual factors for significantly intense reflections	0.0561
Weighted residual factors for all reflections included in the refinement	0.0566
Goodness-of-fit parameter for all reflections included in the refinement	1.147
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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