Crystallography Open Database

Information card for entry 7236859

Preview

Coordinates	7236859.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	AC-8-400K
Formula	C16 H20 Br5 N2 Sb
Calculated formula	C16 H20 Br4.999 N2 Sb
Title of publication	Thermochromism to tune the optical bandgap of a lead-free perovskite-type hybrid semiconductor for efficiently enhancing photocurrent generation
Authors of publication	Zhang, Weichuan; Sun, Zhihua; Zhang, Jing; Han, Shiguo; Ji, Chengmin; Li, Lina; Hong, Maochun; Luo, Junhua
Journal of publication	Journal of Materials Chemistry C
Year of publication	2017
Journal volume	5
Journal issue	38
Pages of publication	9967
a	11.0102 ± 0.0006 Å
b	15.1858 ± 0.0008 Å
c	13.6416 ± 0.0009 Å
α	90°
β	99.313 ± 0.006°
γ	90°
Cell volume	2250.8 ± 0.2 Å³
Cell temperature	400.01 ± 0.1 K
Ambient diffraction temperature	400.01 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.162
Residual factor for significantly intense reflections	0.0887
Weighted residual factors for significantly intense reflections	0.1812
Weighted residual factors for all reflections included in the refinement	0.2256
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation probe	x-ray
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
288248 (current)	2023-12-12	cif/ Removed the misspelt '_symmetry_space_group_name_h-m_alt' data name since the same space group information is already provided using proper data names.	7236859.cif
236578	2019-11-24	cif/ Adding structures of 7236855, 7236856, 7236857, 7236858, 7236859 via cif-deposit CGI script.	7236859.cif