Crystallography Open Database

Information card for entry 4110672

Preview

Coordinates	4110672.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H104 O3 Si4 Y4
Calculated formula	C59 H95 O3 Si4 Y4
Title of publication	Hydrogenation of Carbon Monoxide by Tetranuclear Rare Earth Metal Polyhydrido Complexes. Selective Formation of Ethylene and Isolation of Well-Defined Polyoxo Rare Earth Metal Clusters
Authors of publication	Takanori Shima; Zhaomin Hou
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	8124 - 8125
a	20.2952 ± 0.0011 Å
b	14.6232 ± 0.0008 Å
c	24.9276 ± 0.0014 Å
α	90°
β	111.16 ± 0.001°
γ	90°
Cell volume	6899.2 ± 0.7 Å³
Cell temperature	163 ± 2 K
Ambient diffraction temperature	163 ± 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	0.1068
Residual factor for significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.1091
Weighted residual factors for all reflections included in the refinement	0.1188
Goodness-of-fit parameter for all reflections included in the refinement	0.89
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
178877 (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 4/11/06.	4110672.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110672.cif
59489	2012-06-12	cif/ Adding structures of 4110672 via cif-deposit CGI script.	4110672.cif