Crystallography Open Database

Information card for entry 4112093

4112092 << 4112093 >> 4112094

Preview

Coordinates	4112093.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	DippGe(PhCNNCPh)GeDipp.0.65PhCN.0.35MeCyclopentane.0.5Et2O
Formula	C83.65 H98.45 Ge2 N2.65
Calculated formula	C83.65 H98.45 Ge2 N2.65
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	13.089 ± 0.0017 Å
b	14.2078 ± 0.0017 Å
c	21.234 ± 0.003 Å
α	93.795 ± 0.003°
β	91.656 ± 0.003°
γ	115.63 ± 0.003°
Cell volume	3545.2 ± 0.8 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 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	0.0753
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.1155
Weighted residual factors for all reflections included in the refinement	0.1317
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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.	4112093.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112093.cif
63713	2012-08-06	cif/ Adding structures of 4112093 via cif-deposit CGI script.	4112093.cif