Crystallography Open Database

Information card for entry 4003471

Preview

Coordinates	4003471.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C H7 Br3 N2 Pb
Calculated formula	C0.9996 Br3 N2.0004 Pb
Title of publication	Methylhydrazinium Lead Bromide: Noncentrosymmetric Three-Dimensional Perovskite with Exceptionally Large Framework Distortion and Green Photoluminescence
Authors of publication	Ma̧czka, Mirosl̷aw; Ptak, Maciej; Ga̧gor, Anna; Stefańska, Dagmara; Zarȩba, Jan K.; Sieradzki, Adam
Journal of publication	Chemistry of Materials
Year of publication	2020
a	6.0354 ± 0.0004 Å
b	6.0354 ± 0.0004 Å
c	6.0354 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	219.85 ± 0.03 Å³
Cell temperature	430.01 ± 0.1 K
Ambient diffraction temperature	430.01 ± 0.1 K
Number of distinct elements	5
Space group number	221
Hermann-Mauguin space group symbol	P m -3 m
Hall space group symbol	-P 4 2 3
Residual factor for all reflections	0.0282
Residual factor for significantly intense reflections	0.0267
Weighted residual factors for significantly intense reflections	0.0618
Weighted residual factors for all reflections included in the refinement	0.0637
Goodness-of-fit parameter for all reflections included in the refinement	1.135
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

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4003471.html