Crystallography Open Database

Information card for entry 7131970

7131969 << 7131970 >> 7131971

Preview

Coordinates	7131970.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 Bi1.33 I12 N8
Calculated formula	C16 Bi1.3332 I12 N8
Title of publication	A chiral two-dimensional perovskite-like lead-free bismuth(III) iodide hybrid with high phase transition temperature.
Authors of publication	Peng, Hang; Liu, Qin; Lu, Yan-Zi; Yang, Shu-Jing; Qi, Jun-Chao; Chen, Xiao-Gang; Liao, Wei-Qiang
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2023
a	7.135 ± 0.0005 Å
b	7.135 ± 0.0005 Å
c	24.284 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1236.3 ± 0.2 Å³
Cell temperature	420 ± 2 K
Ambient diffraction temperature	420 ± 2 K
Number of distinct elements	4
Space group number	97
Hermann-Mauguin space group symbol	I 4 2 2
Hall space group symbol	I 4 2
Residual factor for all reflections	0.1272
Residual factor for significantly intense reflections	0.0962
Weighted residual factors for significantly intense reflections	0.2061
Weighted residual factors for all reflections included in the refinement	0.2234
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7131970.html