Crystallography Open Database

Information card for entry 4110692

Preview

Coordinates	4110692.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H88 Li2 N2 O4 Zr
Calculated formula	C56 H88 Li2 N2 O4 Zr
Title of publication	C-C Bond-Forming Reductive Elimination from a Zirconium(IV) Redox-Active Ligand Complex
Authors of publication	Mason R. Haneline; Alan F. Heyduk
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	8410 - 8411
a	10.817 ± 0.002 Å
b	28.533 ± 0.006 Å
c	17.917 ± 0.004 Å
α	90°
β	97.07 ± 0.03°
γ	90°
Cell volume	5488 ± 2 Å³
Cell temperature	163 ± 2 K
Ambient diffraction temperature	163 ± 2 K
Number of distinct elements	6
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	0.0847
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.0931
Weighted residual factors for all reflections included in the refinement	0.1116
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
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.	4110692.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110692.cif
59509	2012-06-12	cif/ Adding structures of 4110692 via cif-deposit CGI script.	4110692.cif