Crystallography Open Database

Information card for entry 1556476

Preview

Coordinates	1556476.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H108 Li N9 O9 Sn4
Calculated formula	C81 H108 Li N9 O9 Sn4
SMILES	c1(cccc([n]12)OC(C)(C)C)[Sn]([Sn]([Sn](c1nc(ccc1)OC(C)(C)C)(c1nc(ccc1)OC(C)(C)C)c1nc(ccc1)OC(C)(C)C)[Sn](c1nc(ccc1)OC(C)(C)C)(c1nc(ccc1)OC(C)(C)C)c1nc(ccc1)OC(C)(C)C)(c1[n]3c(ccc1)OC(C)(C)C)c1[n](c(ccc1)OC(C)(C)C)[Li]23
Title of publication	Monoanionic Tin Oligomers Featuring Sn-Sn or Sn-Pb Bonds: Synthesis and Characterization of a Tris(Triheteroarylstannyl)Stannate and -Plumbate
Authors of publication	Zeckert, K.
Journal of publication	Inorganics
Year of publication	2016
Journal volume	4
Pages of publication	19
a	16.2901 ± 0.0009 Å
b	17.2775 ± 0.0008 Å
c	19.5167 ± 0.0008 Å
α	103.329 ± 0.004°
β	101.969 ± 0.004°
γ	118.018 ± 0.005°
Cell volume	4388.4 ± 0.5 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 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	0.1086
Residual factor for significantly intense reflections	0.0574
Weighted residual factors for significantly intense reflections	0.0993
Weighted residual factors for all reflections included in the refinement	0.1172
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
244959 (current)	2019-12-09	cif/ Adding structures of 1556476 via cif-deposit CGI script.	1556476.cif