Crystallography Open Database

Information card for entry 7718826

Preview

Coordinates	7718826.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H9 I3 N4 Zn
Calculated formula	C6 H9 I3 N4 Zn
Title of publication	Ligand substitution in organic-inorganic hybrid zinc iodides for second-harmonic generation.
Authors of publication	Cheng, Juan; Yi, Gangji; Long, Ying; Zhong, Qinglan; Zou, Guohong; Luan, Lindong; Lin, Zhien
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	26
Pages of publication	10351 - 10357
a	14.4475 ± 0.0003 Å
b	8.5738 ± 0.0003 Å
c	12.6506 ± 0.0004 Å
α	90°
β	112.904 ± 0.001°
γ	90°
Cell volume	1443.48 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.021
Residual factor for significantly intense reflections	0.0198
Weighted residual factors for significantly intense reflections	0.0434
Weighted residual factors for all reflections included in the refinement	0.0438
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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