Crystallography Open Database

Information card for entry 4112089

4112088 << 4112089 >> 4112090

Preview

Coordinates	4112089.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[DippGe(OH)(μ-OO)(μ-O)Ge(OH)Dipp].0.5hexane
Formula	C63 H83 Ge2 O5
Calculated formula	C63 H82 Ge2 O5
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	14.868 ± 0.006 Å
b	18.065 ± 0.007 Å
c	22.078 ± 0.009 Å
α	90°
β	104.633 ± 0.009°
γ	90°
Cell volume	5738 ± 4 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1815
Residual factor for significantly intense reflections	0.0907
Weighted residual factors for significantly intense reflections	0.2006
Weighted residual factors for all reflections included in the refinement	0.262
Goodness-of-fit parameter for all reflections included in the refinement	0.953
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.	4112089.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112089.cif
63709	2012-08-06	cif/ Adding structures of 4112089 via cif-deposit CGI script.	4112089.cif