Crystallography Open Database

Information card for entry 4003869

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Coordinates	4003869.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 Br8 N8 Pb2
Calculated formula	C4 Br8 N8 Pb2
Title of publication	FA2PbBr4: Synthesis, Structure, and Unusual Optical Properties of Two Polymorphs of Formamidinium-Based Layered (110) Hybrid Perovskite
Authors of publication	Fateev, Sergey A.; Petrov, Andrey A.; Marchenko, Ekaterina I.; Zubavichus, Yan V.; Khrustalev, Victor N.; Petrov, Andrey V.; Aksenov, Sergey M.; Goodilin, Eugene A.; Tarasov, Alexey B.
Journal of publication	Chemistry of Materials
Year of publication	2021
a	8.5642 ± 0.0017 Å
b	11.884 ± 0.002 Å
c	14.312 ± 0.003 Å
α	65.92 ± 0.03°
β	73.01 ± 0.03°
γ	83.76 ± 0.03°
Cell volume	1271.7 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1677
Residual factor for significantly intense reflections	0.162
Weighted residual factors for significantly intense reflections	0.3524
Weighted residual factors for all reflections included in the refinement	0.3545
Goodness-of-fit parameter for significantly intense reflections	2.77
Goodness-of-fit parameter for all reflections included in the refinement	2.5
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.80246 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
262136 (current)	2021-02-23	cif/ Adding structures of 4003869 via cif-deposit CGI script.	4003869.cif