Crystallography Open Database

Information card for entry 7711970

7711969 << 7711970 >> 7711971

Preview

Coordinates	7711970.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H24 Br4 N2 O2 Zn
Calculated formula	C16 H24 Br4 N2 O2 Zn
SMILES	Br[Zn](Br)([Br-])[Br-].C([NH3+])c1ccc(OC)cc1.C(c1ccc(OC)cc1)[NH3+]
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	10.871 ± 0.004 Å
b	7.644 ± 0.003 Å
c	13.574 ± 0.005 Å
α	90°
β	92.486 ± 0.009°
γ	90°
Cell volume	1126.9 ± 0.7 Å³
Cell temperature	273 K
Ambient diffraction temperature	273 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0834
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for significantly intense reflections	0.08
Weighted residual factors for all reflections included in the refinement	0.0974
Goodness-of-fit parameter for all reflections included in the refinement	0.993
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.	7711970.cif
279940	2022-12-20	cif/ Adding structures of 7711970, 7711971, 7711972 via cif-deposit CGI script.	7711970.cif