Crystallography Open Database

Information card for entry 7718825

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Coordinates	7718825.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H12 I4 N4 O Zn
Calculated formula	C6 H12 I4 N4 O 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	7.8051 ± 0.0003 Å
b	8.1621 ± 0.0003 Å
c	16.1191 ± 0.0007 Å
α	84.849 ± 0.002°
β	77.258 ± 0.002°
γ	64.212 ± 0.001°
Cell volume	901.82 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0364
Residual factor for significantly intense reflections	0.0294
Weighted residual factors for significantly intense reflections	0.0643
Weighted residual factors for all reflections included in the refinement	0.0679
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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