Crystallography Open Database

Information card for entry 4114192

Preview

Coordinates	4114192.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(NaSnBert*)~2~^.^3benzene
Formula	C90 H116 Na2 Sn2
Calculated formula	C90 H116 Na2 Sn2
SMILES	c1(c(cccc1c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C)[Sn][Sn]c1c(cccc1c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C.[Na+].[Na+].c1ccccc1.c1ccccc1.c1ccccc1
Title of publication	Germanium and Tin Analogues of Alkynes and Their Reduction Products
Authors of publication	Lihung Pu; Andrew D. Phillips; Anne F. Richards; Matthias Stender; Richard S. Simons; Marilyn M. Olmstead; Philip P. Power
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	11626 - 11636
a	16.72 ± 0.004 Å
b	16.72 ± 0.004 Å
c	29.616 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	8279 ± 3 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	4
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.121
Residual factor for significantly intense reflections	0.0604
Weighted residual factors for significantly intense reflections	0.0928
Weighted residual factors for all reflections included in the refinement	0.1122
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
178912 (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 4/11/41.	4114192.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114192.cif
67475	2012-09-26	cif/ Adding structures of 4114192 via cif-deposit CGI script.	4114192.cif