Crystallography Open Database

Information card for entry 4135270

Preview

Coordinates	4135270.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H20 Fe I3 N Pb
Calculated formula	C14 H20 Fe I3 N Pb
Title of publication	Organometallic-Based Hybrid Perovskite Piezoelectrics with a Narrow Band Gap.
Authors of publication	Zhang, Zhi-Xu; Zhang, Han-Yue; Zhang, Wei; Chen, Xiao-Gang; Wang, Hui; Xiong, Ren-Gen
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
Journal volume	142
Journal issue	41
Pages of publication	17787 - 17794
a	25.8959 ± 0.0016 Å
b	10.0928 ± 0.0005 Å
c	7.944 ± 0.0004 Å
α	90°
β	93.798 ± 0.005°
γ	90°
Cell volume	2071.7 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0637
Residual factor for significantly intense reflections	0.0611
Weighted residual factors for significantly intense reflections	0.1742
Weighted residual factors for all reflections included in the refinement	0.1764
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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