Crystallography Open Database

Information card for entry 7705286

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Coordinates	7705286.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H8 Br3 N Pb
Calculated formula	C9 H8 Br3 N Pb
Title of publication	Structural diversity of lead halide chain compounds, APbX<sub>3</sub>, templated by isomeric molecular cations.
Authors of publication	Guo, Yuan-Yuan; Lightfoot, Philip
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	36
Pages of publication	12767 - 12775
a	21.3526 ± 0.0015 Å
b	7.7783 ± 0.0005 Å
c	31.168 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	5176.6 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0692
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.0979
Weighted residual factors for all reflections included in the refinement	0.112
Goodness-of-fit parameter for all reflections included in the refinement	0.912
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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