Crystallography Open Database

Information card for entry 7127578

Preview

Coordinates	7127578.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H42 Bi3 I15 N6
Calculated formula	C12 H42 Bi3 I15 N6
Title of publication	A lead-free bismuth iodide organic-inorganic ferroelectric semiconductor.
Authors of publication	Liu, Yu-Hua; Peng, Hang; Liao, Wei-Qiang
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	5
Pages of publication	647 - 650
a	11.0339 ± 0.0009 Å
b	8.5608 ± 0.0004 Å
c	27.529 ± 0.002 Å
α	90°
β	99.793 ± 0.005°
γ	90°
Cell volume	2562.5 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0701
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.0875
Weighted residual factors for all reflections included in the refinement	0.0949
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
261537 (current)	2021-02-05	cif/ Updating files of 7127578, 7127579 Original log message: Adding full bibliography for 7127578--7127579.cif.	7127578.cif
259853	2020-12-13	cif/ Adding structures of 7127578, 7127579 via cif-deposit CGI script.	7127578.cif