Crystallography Open Database

Information card for entry 4112097

4112096 << 4112097 >> 4112098

Preview

Coordinates	4112097.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H104 Ge2 O
Calculated formula	C96 H104 Ge2 O
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	13.7999 ± 0.0008 Å
b	15.1927 ± 0.0009 Å
c	20.3401 ± 0.0012 Å
α	87.368 ± 0.001°
β	79.496 ± 0.001°
γ	66.618 ± 0.001°
Cell volume	3847 ± 0.4 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0703
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.1023
Weighted residual factors for all reflections included in the refinement	0.1119
Goodness-of-fit parameter for all reflections included in the refinement	0.99
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
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.	4112097.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112097.cif
63717	2012-08-06	cif/ Adding structures of 4112097 via cif-deposit CGI script.	4112097.cif