Crystallography Open Database

Information card for entry 7244277

Preview

Coordinates	7244277.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H45 Cl12 N3 Sb2
Calculated formula	C30 H45 Cl12 N3 Sb2
SMILES	[Sb](Cl)(Cl)(Cl)[Cl-].[Sb]([Cl-])(Cl)(Cl)Cl.[Cl-].Clc1ccc(cc1)C[N+](C)(C)C.Clc1ccc(cc1)C[N+](C)(C)C.Clc1ccc(C[N+](C)(C)C)cc1
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	9.1074 ± 0.001 Å
b	14.2404 ± 0.0016 Å
c	18.54 ± 0.002 Å
α	84.512 ± 0.009°
β	89.419 ± 0.009°
γ	77.186 ± 0.008°
Cell volume	2333.7 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1601
Residual factor for significantly intense reflections	0.0995
Weighted residual factors for significantly intense reflections	0.2704
Weighted residual factors for all reflections included in the refinement	0.3082
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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.	7244277.cif