Crystallography Open Database

Information card for entry 8104854

Preview

Coordinates	8104854.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Diphenylammonium chloride antimony trichloride
Formula	C12 H12 Cl4 N Sb
Calculated formula	C12 H12 Cl4 N Sb
SMILES	[Sb](Cl)(Cl)Cl.[Cl-].[NH2+](c1ccccc1)c1ccccc1
Title of publication	The crystal structure of diphenyalmine hydrochloride antimony trichloride co-crystallizate, C12H12Cl4NSb – Localization of hydrogen atoms
Authors of publication	Averdunk, Arthur; Hosten, Eric C.; Betz, Richard
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Journal issue	2
Pages of publication	439 - 441
a	5.6693 ± 0.0002 Å
b	20.2385 ± 0.0007 Å
c	14.3908 ± 0.0005 Å
α	90°
β	100.383 ± 0.001°
γ	90°
Cell volume	1624.14 ± 0.1 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 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	0.0226
Residual factor for significantly intense reflections	0.0192
Weighted residual factors for significantly intense reflections	0.0415
Weighted residual factors for all reflections included in the refinement	0.043
Goodness-of-fit parameter for all reflections included in the refinement	1.097
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
273968 (current)	2022-03-25	cif/ Adding structures of 8104854 via cif-deposit CGI script.	8104854.cif