Crystallography Open Database

Information card for entry 7711971

7711970 << 7711971 >> 7711972

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Coordinates	7711971.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H24 I4 N2 O2 Zn
Calculated formula	C16 H24 I4 N2 O2 Zn
Title of publication	Halogen engineering of organic-inorganic hybrid perovskites displaying nonlinear optical, fluorescence properties and phase transition.
Authors of publication	Teri, Gele; Jia, Qiang-Qiang; Ni, Hao-Fei; Wang, Jun-Qin; Fu, Da-Wei; Guo, Qiang
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	4
Pages of publication	1074 - 1081
a	11.33 ± 0.004 Å
b	8.298 ± 0.003 Å
c	27.754 ± 0.009 Å
α	90°
β	90.453 ± 0.006°
γ	90°
Cell volume	2609.2 ± 1.6 Å³
Cell temperature	363 K
Ambient diffraction temperature	363 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0771
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.1003
Weighted residual factors for all reflections included in the refinement	0.1163
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
283269 (current)	2023-05-05	cif/ Updating files of 7711970, 7711971, 7711972 Original log message: Adding full bibliography for 7711970--7711972.cif.	7711971.cif
279940	2022-12-20	cif/ Adding structures of 7711970, 7711971, 7711972 via cif-deposit CGI script.	7711971.cif