Crystallography Open Database

Information card for entry 7718827

Preview

Coordinates	7718827.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H12 I2 N6 Zn
Calculated formula	C9 H12 I2 N6 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	9.4368 ± 0.0005 Å
b	12.6632 ± 0.0007 Å
c	15.0847 ± 0.0008 Å
α	78.004 ± 0.002°
β	84.54 ± 0.002°
γ	70.98 ± 0.002°
Cell volume	1666.26 ± 0.16 Å³
Cell temperature	283 ± 2 K
Ambient diffraction temperature	283 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0583
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0609
Weighted residual factors for all reflections included in the refinement	0.0717
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation probe	x-ray
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
300793 (current)	2025-07-06	cif/ Updating files of 7718825, 7718826, 7718827, 7718828 Original log message: Adding full bibliography for 7718825--7718828.cif.	7718827.cif
299951	2025-06-04	cif/ Adding structures of 7718825, 7718826, 7718827, 7718828 via cif-deposit CGI script.	7718827.cif