Crystallography Open Database

Information card for entry 4113341

Preview

Coordinates	4113341.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H132 Si8 Zr2
Calculated formula	C84 H134 Si8 Zr2
Title of publication	Zirconium Sandwich Complexes with η9 Indenyl Ligands: Well-Defined Precursors for Zirconocene-Mediated Coupling Reactions
Authors of publication	Christopher A. Bradley; Ivan Keresztes; Emil Lobkovsky; Victor G. Young; Paul J. Chirik
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	16937 - 16950
a	15.7325 ± 0.0013 Å
b	17.0445 ± 0.0015 Å
c	17.9558 ± 0.0015 Å
α	73.1 ± 0.002°
β	76.224 ± 0.002°
γ	80.831 ± 0.002°
Cell volume	4453.3 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.1111
Residual factor for significantly intense reflections	0.0632
Weighted residual factors for significantly intense reflections	0.1229
Weighted residual factors for all reflections included in the refinement	0.1379
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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
178904 (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 4/11/33.	4113341.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113341.cif
65882	2012-09-06	cif/ Adding structures of 4113341 via cif-deposit CGI script.	4113341.cif