Crystallography Open Database

Information card for entry 7244276

Preview

Coordinates	7244276.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H45 Cl9 F3 N3 Sb2
Calculated formula	C30 H45 Cl9 F3 N3 Sb2
SMILES	[Sb](Cl)(Cl)(Cl)[Cl-].[Sb](Cl)(Cl)Cl.[N+](C)(C)(Cc1ccc(F)cc1)C.[N+](C)(Cc1ccc(F)cc1)(C)C.[N+](Cc1ccc(F)cc1)(C)(C)C.[Cl-].[Cl-]
Title of publication	Band gap modulation of organic–inorganic Sb(iii) halide by molecular design
Authors of publication	Wang, Yan-Ning; Tong, Liang; Min-Wan,; Liu, Jing-Yuan; Ye, Si-Yu; Mensah, Abraham; Li, Jun-Yi; Chen, Li-Zhuang
Journal of publication	CrystEngComm
Year of publication	2022
a	9.275 ± 0.002 Å
b	13.826 ± 0.003 Å
c	18.274 ± 0.004 Å
α	83.423 ± 0.005°
β	89.796 ± 0.006°
γ	76.621 ± 0.005°
Cell volume	2264.1 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1152
Residual factor for significantly intense reflections	0.0898
Weighted residual factors for significantly intense reflections	0.2772
Weighted residual factors for all reflections included in the refinement	0.3029
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
272214 (current)	2022-01-25	cif/ Adding structures of 7244275, 7244276, 7244277, 7244278 via cif-deposit CGI script.	7244276.cif