Crystallography Open Database

Information card for entry 1519691

1519690 << 1519691 >> 1519692

Preview

Coordinates	1519691.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H52 N2 Zr
Calculated formula	C28 H52 N2 Zr
Title of publication	Synthetic Optimization and Scale-Up of Imino‒Amido Hafnium and Zirconium Olefin Polymerization Catalysts
Authors of publication	Zhang, Chunming; Pan, Heqi; Klosin, Jerzy; Tu, Siyu; Jaganathan, Arvind; Fontaine, Philip P.
Journal of publication	Organic Process Research & Development
Year of publication	2015
Journal volume	19
Journal issue	10
Pages of publication	1383
a	9.7837 ± 0.0005 Å
b	17.3161 ± 0.001 Å
c	17.4313 ± 0.001 Å
α	80.898 ± 0.003°
β	88.203 ± 0.003°
γ	89.242 ± 0.003°
Cell volume	2914.4 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0747
Residual factor for significantly intense reflections	0.0683
Weighted residual factors for significantly intense reflections	0.1822
Weighted residual factors for all reflections included in the refinement	0.186
Goodness-of-fit parameter for all reflections included in the refinement	1.154
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
170097 (current)	2015-11-06	cif/ Updating files of 1519691 Original log message: Adding full bibliography for 1519691.cif.	1519691.cif
136825	2015-05-18	cif/ Adding structures of 1519691 via cif-deposit CGI script.	1519691.cif