Crystallography Open Database

Information card for entry 7245053

Preview

Coordinates	7245053.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	C5H5NSbCl6
Formula	C15 H15 Cl12 N3 Sb2
Calculated formula	C15 H15 Cl12 N3 Sb2
SMILES	[Sb]([Cl-])(Cl)(Cl)Cl.[nH+]1ccc(Cl)cc1.Clc1cc[nH+]cc1.[Sb]([Cl-])(Cl)(Cl)Cl.Clc1cc[nH+]cc1.[Cl-]
Title of publication	Insight on noncovalent interactions and orbital constructs in low-dimensional antimony halide perovskites
Authors of publication	Nicholas, Aaron D.; Garman, Leah C.; Albano, Nicolina; Cahill, Chris
Journal of publication	Physical Chemistry Chemical Physics
Year of publication	2022
a	8.5816 ± 0.0007 Å
b	12.1045 ± 0.0007 Å
c	14.9113 ± 0.0012 Å
α	105.975 ± 0.003°
β	91.902 ± 0.003°
γ	95.118 ± 0.003°
Cell volume	1480.47 ± 0.19 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.035
Residual factor for significantly intense reflections	0.0266
Weighted residual factors for significantly intense reflections	0.0576
Weighted residual factors for all reflections included in the refinement	0.0604
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
275952 (current)	2022-06-10	cif/ Adding structures of 7245048, 7245049, 7245050, 7245051, 7245052, 7245053, 7245054, 7245055 via cif-deposit CGI script.	7245053.cif