Crystallography Open Database

Information card for entry 8106017

Preview

Coordinates	8106017.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H19 Cl N2 S2 Sn
Calculated formula	C13 H19 Cl N2 S2 Sn
SMILES	[Sn]1(SC(=[S]1)N1CCN(CC1)c1ccccc1)(Cl)(C)C
Title of publication	Crystal structure of chlorido-dimethyl-(phenylpiperazine-1-carbodithioato-κ2S,S′)tin(IV), C13H19ClN2S2Sn
Authors of publication	Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2019
Journal volume	234
Journal issue	6
Pages of publication	1309 - 1311
a	6.5837 ± 0.0002 Å
b	9.9458 ± 0.0002 Å
c	12.872 ± 0.0003 Å
α	85.344 ± 0.002°
β	79.508 ± 0.002°
γ	83.832 ± 0.002°
Cell volume	822.33 ± 0.04 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.018
Residual factor for significantly intense reflections	0.0176
Weighted residual factors for significantly intense reflections	0.0457
Weighted residual factors for all reflections included in the refinement	0.0461
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
279096 (current)	2022-11-08	cif/ Adding structures of 8106017 via cif-deposit CGI script.	8106017.cif