Crystallography Open Database

Information card for entry 1556478

Preview

Coordinates	1556478.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H84 N6 O6 Sn2
Calculated formula	C66 H84 N6 O6 Sn2
SMILES	c1(nc(ccc1)OC(C)(C)C)[Sn](c1cccc(n1)OC(C)(C)C)(c1cccc(n1)OC(C)(C)C)[Sn](c1cccc(n1)OC(C)(C)C)(c1cccc(n1)OC(C)(C)C)c1cccc(n1)OC(C)(C)C.c1ccccc1.c1ccccc1
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	14.4547 ± 0.0003 Å
b	14.4547 ± 0.0003 Å
c	8.7666 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	1586.28 ± 0.07 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	5
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.042
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.06
Weighted residual factors for all reflections included in the refinement	0.0621
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation probe	x-ray
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
244961 (current)	2019-12-09	cif/ Adding structures of 1556478 via cif-deposit CGI script.	1556478.cif