Crystallography Open Database

Information card for entry 8105123

Preview

Coordinates	8105123.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H25 F N2 O4 S2 Sn
Calculated formula	C16 H25 F N2 O4 S2 Sn
SMILES	[Sn]123(SC(=[S]1)N(CCO)CCO)(OCC[NH]3CCO2)Cc1ccc(F)cc1
Title of publication	Crystal structure of (4-fluorobenzyl-κC)(bis(2-hydroxyethyl) carbamodithioato-κ2 S,S′)(2,2′-imino-diethanolato-κ3 N,O,O′)tin(IV), C16H25FN2O4S2Sn
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	2
Pages of publication	403 - 405
a	11.2227 ± 0.0001 Å
b	12.6793 ± 0.0001 Å
c	13.8731 ± 0.0001 Å
α	90°
β	98.282 ± 0.001°
γ	90°
Cell volume	1953.5 ± 0.03 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.0208
Residual factor for significantly intense reflections	0.0198
Weighted residual factors for significantly intense reflections	0.0499
Weighted residual factors for all reflections included in the refinement	0.0507
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
274866 (current)	2022-05-04	cif/ Adding structures of 8105123 via cif-deposit CGI script.	8105123.cif