Crystallography Open Database

Information card for entry 4110473

Preview

Coordinates	4110473.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H40 N2 Zr
Calculated formula	C21 H40 N2 Zr
Title of publication	Living Ziegler-Natta Polymerization by Early Transition Metals: Synthesis and Evaluation of Cationic Zirconium Alkyl Complexes Bearing β-Hydrogens as Models for Propagating Centers
Authors of publication	Matthew B. Harney; Richard J. Keaton; James C. Fettinger; Lawrence R. Sita
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	3420 - 3432
a	9.0417 ± 0.0005 Å
b	16.1399 ± 0.0008 Å
c	15.5233 ± 0.0008 Å
α	90°
β	91.879 ± 0.001°
γ	90°
Cell volume	2264.1 ± 0.2 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
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	0.0566
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.1273
Weighted residual factors for all reflections included in the refinement	0.1333
Goodness-of-fit parameter for all reflections included in the refinement	1.1
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
178875 (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 4/11/04.	4110473.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110473.cif
59272	2012-06-05	cif/ Adding structures of 4110473 via cif-deposit CGI script.	4110473.cif