Crystallography Open Database

Information card for entry 7717430

Preview

Coordinates	7717430.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H33 Bi2 I9 N3
Calculated formula	C12 H33 Bi2 I9 N3
Title of publication	A bulk photovoltaic effect in a zero-dimensional room-temperature molecular ferroelectric [C<sub>8</sub>N<sub>2</sub>H<sub>22</sub>]<sub>1.5</sub>[Bi<sub>2</sub>I<sub>9</sub>].
Authors of publication	Chen, Zhibo; Luo, Tianhong; Wen, Jinrong; Liu, Zhanqiang; Hou, Jingshan; Fang, Yongzheng; Zhang, Ganghua
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	54
Journal issue	1
Pages of publication	267 - 273
a	17.5341 ± 0.0016 Å
b	8.5135 ± 0.0008 Å
c	23.945 ± 0.002 Å
α	90°
β	95.581 ± 0.003°
γ	90°
Cell volume	3557.5 ± 0.6 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	5
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0678
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.1139
Weighted residual factors for all reflections included in the refinement	0.1299
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
298240 (current)	2025-03-04	cif/ Updating files of 7717430 Original log message: Adding full bibliography for 7717430.cif.	7717430.cif
295810	2024-11-07	cif/ Adding structures of 7717430 via cif-deposit CGI script.	7717430.cif