Crystallography Open Database

Information card for entry 4003049

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Coordinates	4003049.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H14 Bi I5 N2
Calculated formula	C4 H14 Bi I5 N2
Title of publication	A Lead-Free Hybrid Iodide with Quantitative Response to X-ray Radiation
Authors of publication	Tao, Kewen; Li, Yaobin; Ji, Chengmin; Liu, Xitao; Wu, Zhenyue; Han, Shiguo; Sun, Zhihua; Luo, Junhua
Journal of publication	Chemistry of Materials
Year of publication	2019
Journal volume	31
Journal issue	15
Pages of publication	5927
a	18.3099 ± 0.0004 Å
b	10.9142 ± 0.0003 Å
c	8.4635 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1691.33 ± 0.07 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0704
Residual factor for significantly intense reflections	0.0664
Weighted residual factors for significantly intense reflections	0.1737
Weighted residual factors for all reflections included in the refinement	0.1775
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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