Crystallography Open Database

Information card for entry 1572605

Preview

Coordinates	1572605.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H15 Br3 F N Pb
Calculated formula	C10 H15 Br3 F N Pb
Title of publication	H/F Substitution Strategy Can Achieve Large Spontaneous Polarization in 1D Hybrid Perovskite Ferroelectric
Authors of publication	Liu, Jiu-Yang; Lun, Meng-Meng; Wang, Zhi-Jie; Li, Jun-Yi; Ding, Kun; Fu, Da-Wei; Lu, Hai-Feng; Zhang, Yi
Journal of publication	Chemical Science
Year of publication	2024
a	23.5064 ± 0.0018 Å
b	8.9668 ± 0.0005 Å
c	6.8118 ± 0.0004 Å
α	90°
β	98.299 ± 0.007°
γ	90°
Cell volume	1420.74 ± 0.16 Å³
Cell temperature	420 ± 0.2 K
Ambient diffraction temperature	420 ± 0.2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1039
Residual factor for significantly intense reflections	0.0852
Weighted residual factors for significantly intense reflections	0.2754
Weighted residual factors for all reflections included in the refinement	0.3068
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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