Crystallography Open Database

Information card for entry 8105509

Preview

Coordinates	8105509.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H24 Cl3 N3 Sn
Calculated formula	C24 H24 Cl3 N3 Sn
SMILES	[Sn](Cl)(Cl)(Cc1ccccc1)Cc1ccccc1.[Cl-].N(c1[nH+]cccc1)c1ncccc1
Title of publication	Crystal structure of 2-(pyridin-2-ylamino)pyridinium chloride dibenzyldichlorostannane, [C10H10N3]Cl, C14H14Cl2Sn
Authors of publication	Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2020
Journal volume	235
Journal issue	6
Pages of publication	1515 - 1517
a	10.2029 ± 0.0002 Å
b	10.6071 ± 0.0002 Å
c	12.1389 ± 0.0003 Å
α	71.395 ± 0.002°
β	82.665 ± 0.002°
γ	73.34 ± 0.002°
Cell volume	1191.84 ± 0.05 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	0.0184
Residual factor for significantly intense reflections	0.0175
Weighted residual factors for significantly intense reflections	0.0441
Weighted residual factors for all reflections included in the refinement	0.0447
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
276240 (current)	2022-06-24	cif/ Adding structures of 8105509 via cif-deposit CGI script.	8105509.cif