Crystallography Open Database

Information card for entry 7225557

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Coordinates	7225557.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H41 Cl2 O2 P Zr
Calculated formula	C30 H41 Cl2 O2 P Zr
SMILES	[Zr]12345([P](c6ccccc6)(c6c(O1)c(C(C)(C)C)cc(C(C)(C)C)c6)C)(Cl)(Cl)([O]1CCCC1)[cH]1[cH]5[cH]3[cH]2[cH]41
Title of publication	Efficient copolymerization of ethylene with norbornene and its derivatives using half-metallocene zirconium(IV) catalysts
Authors of publication	Li, Yulian; Yang, Jixing; Wang, Bin; Li, Yuesheng
Journal of publication	RSC Adv.
Year of publication	2016
a	20.3736 ± 0.0016 Å
b	21.5156 ± 0.0016 Å
c	13.6999 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	6005.4 ± 0.8 Å³
Cell temperature	185 ± 2 K
Ambient diffraction temperature	185 ± 2 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0934
Residual factor for significantly intense reflections	0.0579
Weighted residual factors for significantly intense reflections	0.1149
Weighted residual factors for all reflections included in the refinement	0.1288
Goodness-of-fit parameter for all reflections included in the refinement	1.092
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
183528 (current)	2016-06-16	cif/ Adding structures of 7225556, 7225557 via cif-deposit CGI script.	7225557.cif