Crystallography Open Database

Information card for entry 4110471

Preview

Coordinates	4110471.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H45 Br0.79 Cl0.21 N2 Zr
Calculated formula	C24 H45 Br0.79 Cl0.21 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	17.3325 ± 0.0008 Å
b	9.5577 ± 0.0004 Å
c	17.4875 ± 0.0008 Å
α	90°
β	113.47 ± 0.001°
γ	90°
Cell volume	2657.3 ± 0.2 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0265
Residual factor for significantly intense reflections	0.0207
Weighted residual factors for significantly intense reflections	0.0514
Weighted residual factors for all reflections included in the refinement	0.0544
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
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.	4110471.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110471.cif
59270	2012-06-05	cif/ Adding structures of 4110471 via cif-deposit CGI script.	4110471.cif