Crystallography Open Database

Information card for entry 1572979

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Coordinates	1572979.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H22 Br6 N2 Pb
Calculated formula	C16 H22 Br6 N2 Pb
Title of publication	Deciphering the Electronic and Structural Origin of Chiroptical Activity of Chiral 2D Perovskites
Authors of publication	Zhang, Zixuan; Wu, Jin; Lu, Haipeng
Journal of publication	Chemical Science
Year of publication	2024
a	8.7384 ± 0.0001 Å
b	7.8441 ± 0.0001 Å
c	17.9204 ± 0.0002 Å
α	90°
β	97.846 ± 0.001°
γ	90°
Cell volume	1216.85 ± 0.03 Å³
Cell temperature	173 ± 0.1 K
Ambient diffraction temperature	173 ± 0.1 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0482
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.1329
Weighted residual factors for all reflections included in the refinement	0.134
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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