Crystallography Open Database

Information card for entry 1506851

Preview

Coordinates	1506851.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H14 Cl2 F10 N2 O2 Zr
Calculated formula	C28 H14 Cl2 F10 N2 O2 Zr
SMILES	[Zr]12(Cl)(Cl)(Oc3c(C=[N]1c1c(F)c(F)c(F)c(F)c1F)cccc3C)Oc1c(C=[N]2c2c(F)c(F)c(F)c(F)c2F)cccc1C
Title of publication	Bis(phenoxyimine)zirconium and -titanium Catalysts Affording Prevailingly Syndiotactic Polypropylenes via Opposite Modes of Monomer Insertion†
Authors of publication	Lamberti, Marina; Gliubizzi, Rocco; Mazzeo, Mina; Tedesco, Consiglia; Pellecchia, Claudio
Journal of publication	Macromolecules
Year of publication	2004
Journal volume	37
Journal issue	2
Pages of publication	276
a	13.1 ± 0.003 Å
b	16.206 ± 0.003 Å
c	14.737 ± 0.002 Å
α	90°
β	110.651 ± 0.015°
γ	90°
Cell volume	2927.6 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.1246
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.0665
Weighted residual factors for all reflections included in the refinement	0.0734
Goodness-of-fit parameter for all reflections included in the refinement	1.479
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1506851.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506851.cif
51491	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 1506851 via cif-deposit CGI script.	1506851.cif