Crystallography Open Database

Information card for entry 1553652

Preview

Coordinates	1553652.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1-Methylpyridinium iodobismuthate
Formula	C6 H8 Bi I4 N
Calculated formula	C6 H8 Bi I4 N
Title of publication	Lead-free pseudo-three-dimensional organic‒inorganic iodobismuthates for photovoltaic applications
Authors of publication	Li, Tianyue; Hu, Yue; Morrison, Carole A.; Wu, Wenjun; Han, Hongwei; Robertson, Neil
Journal of publication	Sustainable Energy & Fuels
Year of publication	2017
Journal volume	1
Journal issue	2
Pages of publication	308
a	7.7618 ± 0.0005 Å
b	14.0412 ± 0.0008 Å
c	13.1959 ± 0.0008 Å
α	90°
β	92.959 ± 0.006°
γ	90°
Cell volume	1436.24 ± 0.15 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0659
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.075
Weighted residual factors for all reflections included in the refinement	0.0784
Goodness-of-fit parameter for all reflections included in the refinement	0.924
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

Version history

Revision	Date	Message	Files
235375 (current)	2019-11-23	cif/ Adding structures of 1553652, 1553653 via cif-deposit CGI script.	1553652.cif