Crystallography Open Database

Information card for entry 7711972

7711971 << 7711972 >> 7711973

Preview

Coordinates	7711972.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H24 I4 N2 O2 Zn
Calculated formula	C16 H24 I4 N2 O2 Zn
SMILES	I[Zn](I)([I-])[I-].O(c1ccc(cc1)C[NH3+])C.[NH3+]Cc1ccc(OC)cc1
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	17.383 ± 0.0007 Å
b	8.2623 ± 0.0004 Å
c	18.0124 ± 0.0007 Å
α	90°
β	102.459 ± 0.001°
γ	90°
Cell volume	2526.08 ± 0.19 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0627
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0615
Weighted residual factors for all reflections included in the refinement	0.0749
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
283269 (current)	2023-05-05	cif/ Updating files of 7711970, 7711971, 7711972 Original log message: Adding full bibliography for 7711970--7711972.cif.	7711972.cif
279940	2022-12-20	cif/ Adding structures of 7711970, 7711971, 7711972 via cif-deposit CGI script.	7711972.cif