Crystallography Open Database

Information card for entry 8105477

Preview

Coordinates	8105477.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H36 Cl N S2 Sn
Calculated formula	C25 H36 Cl N S2 Sn
SMILES	[Sn]1(Cl)(SC(=[S]1)N(CC(C)C)CC(C)C)(Cc1ccc(cc1)C)Cc1ccc(cc1)C
Title of publication	Crystal structure of chlorido-[(N,N-di-isobutyl)dithiocarbamato-κ2 S,S′]-di(4-methylbenzyl-κC)tin(IV), C25H36ClNS2Sn
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	2020
Journal volume	235
Journal issue	6
Pages of publication	1399 - 1401
a	12.7694 ± 0.0001 Å
b	9.7283 ± 0.0001 Å
c	21.564 ± 0.0002 Å
α	90°
β	97.978 ± 0.001°
γ	90°
Cell volume	2652.85 ± 0.04 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0169
Residual factor for significantly intense reflections	0.0167
Weighted residual factors for significantly intense reflections	0.0442
Weighted residual factors for all reflections included in the refinement	0.0444
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
276183 (current)	2022-06-23	cif/ Adding structures of 8105477 via cif-deposit CGI script.	8105477.cif