Crystallography Open Database

Information card for entry 7705286

Preview

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

Version history

Revision	Date	Message	Files
257544 (current)	2020-10-06	cif/ Updating files of 7705282, 7705283, 7705284, 7705285, 7705286, 7705287 Original log message: Adding full bibliography for 7705282--7705287.cif.	7705286.cif
255702	2020-08-28	cif/ Adding structures of 7705282, 7705283, 7705284, 7705285, 7705286, 7705287 via cif-deposit CGI script.	7705286.cif