Crystallography Open Database

Information card for entry 1572604

Preview

Coordinates	1572604.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	The H/F substitution strategy can achieve large spontaneous polarization in 1D hybrid perovskite ferroelectrics.
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
Journal volume	15
Journal issue	40
Pages of publication	16612 - 16617
a	23.977 ± 0.005 Å
b	8.9117 ± 0.0016 Å
c	7.7036 ± 0.0015 Å
α	90°
β	101.973 ± 0.005°
γ	90°
Cell volume	1610.3 ± 0.5 Å³
Cell temperature	273 K
Ambient diffraction temperature	273 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	0.1001
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.0627
Weighted residual factors for all reflections included in the refinement	0.0845
Goodness-of-fit parameter for all reflections included in the refinement	0.957
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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