Crystallography Open Database

Information card for entry 1553653

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Coordinates	1553653.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	pyridinium iodobismuthate
Formula	C5 H6 Bi I4 N
Calculated formula	C5 H6 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	12.6997 ± 0.0003 Å
b	28.3198 ± 0.0006 Å
c	7.716 ± 0.0002 Å
α	90°
β	95.288 ± 0.001°
γ	90°
Cell volume	2763.27 ± 0.11 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.0859
Residual factor for significantly intense reflections	0.0634
Weighted residual factors for significantly intense reflections	0.165
Weighted residual factors for all reflections included in the refinement	0.1785
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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