Crystallography Open Database

Information card for entry 7244278

Preview

Coordinates	7244278.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H45 Br3 Cl9 N3 Sb2
Calculated formula	C30 H45 Br3 Cl9 N3 Sb2
SMILES	[Sb]([Cl-])(Cl)(Cl)Cl.[Sb]([Cl-])(Cl)(Cl)Cl.Brc1ccc(cc1)C[N+](C)(C)C.Brc1ccc(C[N+](C)(C)C)cc1.[N+](Cc1ccc(cc1)Br)(C)(C)C.[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	9.3055 ± 0.0003 Å
b	14.9937 ± 0.0006 Å
c	18.0441 ± 0.0007 Å
α	84.989 ± 0.003°
β	86.538 ± 0.003°
γ	74.258 ± 0.002°
Cell volume	2412.13 ± 0.16 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173.15 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	0.1368
Residual factor for significantly intense reflections	0.1008
Weighted residual factors for significantly intense reflections	0.3214
Weighted residual factors for all reflections included in the refinement	0.3504
Goodness-of-fit parameter for all reflections included in the refinement	1.334
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.	7244278.cif