Crystallography Open Database

Information card for entry 4003122

Preview

Coordinates	4003122.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Br3 H2 O Pb1.5
Calculated formula	Br3 H2 O Pb1.5
Title of publication	Unveiling Solvent-Related Effect on Phase Transformations in CsBr‒PbBr2 System: Coordination and Ratio of Precursors
Authors of publication	Liu, Mei; Zhao, Jiangtao; Luo, Zhenlin; Sun, Zhihu; Pan, Nan; Ding, Huaiyi; Wang, Xiaoping
Journal of publication	Chemistry of Materials
Year of publication	2018
Journal volume	30
Journal issue	17
Pages of publication	5846
a	12.2606 ± 0.0007 Å
b	4.3331 ± 0.0002 Å
c	12.5 ± 0.0008 Å
α	90°
β	101.398 ± 0.006°
γ	90°
Cell volume	650.98 ± 0.06 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.1218
Residual factor for significantly intense reflections	0.0811
Weighted residual factors for significantly intense reflections	0.1895
Weighted residual factors for all reflections included in the refinement	0.226
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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