Crystallography Open Database

Information card for entry 4114003

Preview

Coordinates	4114003.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Tris[di-tert-butyl(methyl)silyl]stannanylium tetrakis(pentafluorophenyl)borate
Formula	C51 H63 B F20 Si3 Sn
Calculated formula	C51 H63 B F20 Si3 Sn
SMILES	[Sn]([Si](C)(C(C)(C)C)C(C)(C)C)([Si](C)(C(C)(C)C)C(C)(C)C)[Si](C)(C(C)(C)C)C(C)(C)C.Fc1c(c(F)c(F)c(F)c1F)[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
Title of publication	Tin-Centered Radical and Cation: Stable and Free
Authors of publication	Akira Sekiguchi; Tomohide Fukawa; Vladimir Ya. Lee; Masaaki Nakamoto
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	9250 - 9251
a	15.093 ± 0.0003 Å
b	21.047 ± 0.0002 Å
c	18.124 ± 0.0004 Å
α	90°
β	101.966 ± 0.001°
γ	90°
Cell volume	5632.21 ± 0.18 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 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	0.0473
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.12
Weighted residual factors for all reflections included in the refinement	0.1238
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178911 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/40.	4114003.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114003.cif
67281	2012-09-20	cif/ Adding structures of 4114003 via cif-deposit CGI script.	4114003.cif