Crystallography Open Database

Information card for entry 1572982

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Coordinates	1572982.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H48 Br12 N4 O2 Pb2
Calculated formula	C32 H48 Br12 N4 O2 Pb2
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	7.8357 ± 0.0002 Å
b	35.9831 ± 0.0011 Å
c	8.8981 ± 0.0002 Å
α	90°
β	90.903 ± 0.002°
γ	90°
Cell volume	2508.53 ± 0.11 Å³
Cell temperature	99.99 ± 0.1 K
Ambient diffraction temperature	99.99 ± 0.1 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0543
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.1222
Weighted residual factors for all reflections included in the refinement	0.1248
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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