Crystallography Open Database

Information card for entry 1550917

Preview

Coordinates	1550917.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	O4 S20 Sn10
Calculated formula	O4 S20 Sn10
SMILES	[Sn]12(=S)S[Sn]3456[S]7[Sn]89%10%11[S]%12[Sn]%13%14(S[Sn](=S)(S3)S9)(S[Sn]3(=S)S[Sn]9%15([S]%16[Sn]%177(S1)(S[Sn](=S)(S8)S[Sn]%12%16(S3)([O]%14%15)[O]%11%17)[O]69)(S2)[S]4%13)[O]5%10
Title of publication	Ionic liquid cations as methylation agent for extremely weak chalcogenido metalate nucleophiles
Authors of publication	Dehnen, Stefanie Susanne; Peters, Bertram; Santner, Silke; Donsbach, Carsten; Smarsly, Bernd; Voepel, Pascal
Journal of publication	Chemical Science
Year of publication	2019
a	27.248 ± 0.003 Å
b	27.248 ± 0.003 Å
c	27.248 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	20230 ± 4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	3
Space group number	227
Hermann-Mauguin space group symbol	F d -3 m
Hall space group symbol	-F 4vw 2vw 3
Residual factor for all reflections	0.0887
Residual factor for significantly intense reflections	0.0543
Weighted residual factors for significantly intense reflections	0.1127
Weighted residual factors for all reflections included in the refinement	0.1205
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
214716 (current)	2019-04-23	cif/ Adding structures of 1550915, 1550916, 1550917, 1550918, 1550919, 1550920, 1550921, 1550922, 1550923 via cif-deposit CGI script.	1550917.cif