Crystallography Open Database

Information card for entry 7133779

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Coordinates	7133779.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H18 Cl4 Ga N
Calculated formula	C7 H18 Cl4 Ga N
Title of publication	An organic-inorganic hybrid perovskite material [Me3NCMe3]GaCl4 exhibits a two-step off-on-off SHG response with large temperature interval
Authors of publication	Yang, Zhao; Zeng, Yiyi; Chen, Guoyong; Sun, Xiao; Zhang, Haina; Cai, Hu; Wei, Zhenhong
Journal of publication	Chemical Communications
Year of publication	2024
a	6.8857 ± 0.0003 Å
b	13.748 ± 0.0006 Å
c	14.6331 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1385.24 ± 0.1 Å³
Cell temperature	230 K
Ambient diffraction temperature	230 K
Number of distinct elements	5
Space group number	57
Hermann-Mauguin space group symbol	P b c m
Hall space group symbol	-P 2c 2b
Residual factor for all reflections	0.0778
Residual factor for significantly intense reflections	0.0562
Weighted residual factors for significantly intense reflections	0.1125
Weighted residual factors for all reflections included in the refinement	0.1215
Goodness-of-fit parameter for all reflections included in the refinement	1.0649
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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