Crystallography Open Database

Information card for entry 4112090

4112089 << 4112090 >> 4112091

Preview

Coordinates	4112090.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C147 H170.5 Ge4 N12 O2.25
Calculated formula	C147.04 H170.6 Ge4 N12 O2.26
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	19.3869 ± 0.0009 Å
b	29.4879 ± 0.0013 Å
c	25.0943 ± 0.0011 Å
α	90°
β	102.057 ± 0.001°
γ	90°
Cell volume	14029.4 ± 1.1 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1017
Residual factor for significantly intense reflections	0.0633
Weighted residual factors for significantly intense reflections	0.1647
Weighted residual factors for all reflections included in the refinement	0.1814
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4112090.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112090.cif
63710	2012-08-06	cif/ Adding structures of 4112090 via cif-deposit CGI script.	4112090.cif