Crystallography Open Database

Information card for entry 4112092

4112091 << 4112092 >> 4112093

Preview

Coordinates	4112092.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Dipp*SnNPh]2.hexane
Formula	C78 H98 N2 Sn2
Calculated formula	C78 H98 N2 Sn2
SMILES	[Sn](N(c1ccccc1)N(c1ccccc1)[Sn]c1c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)c1c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.CCCCCC
Title of publication	Reactions of the Heavier Group 14 Element Alkyne Analogues Ar'EEAr' (Ar' = C6H3-2,6(C6H3-2,6-Pri2)2; E = Ge, Sn) with Unsaturated Molecules: Probing the Character of the EE Multiple Bonds
Authors of publication	Chunming Cui; Marilyn M. Olmstead; James C. Fettinger; Geoffrey H. Spikes; Philip P. Power
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	17530 - 17541
a	11.9584 ± 0.0019 Å
b	27.587 ± 0.005 Å
c	20.622 ± 0.003 Å
α	90°
β	90.114 ± 0.007°
γ	90°
Cell volume	6803.1 ± 1.9 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0328
Residual factor for significantly intense reflections	0.0281
Weighted residual factors for significantly intense reflections	0.0608
Weighted residual factors for all reflections included in the refinement	0.0631
Goodness-of-fit parameter for all reflections included in the refinement	0.989
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
178891 (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 4/11/20.	4112092.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112092.cif
63712	2012-08-06	cif/ Adding structures of 4112092 via cif-deposit CGI script.	4112092.cif