Crystallography Open Database

Information card for entry 7002518

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Coordinates	7002518.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H10 B Cl4 F5 N6 O Ti
Calculated formula	C16 H10 B Cl4 F5 N6 O Ti
Title of publication	Effect of aryloxo substituents in ethylene polymerisation by tris(pyrazolyl)borate titanium(IV) complexes containing aryloxo ligands of type, TpTiCl2(OAr)
Authors of publication	Nomura, Kotohiro; Hasumi, Shinya; Fujiki, Michiya; Itagaki, Koji
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	41
Pages of publication	9052 - 9057
a	11.534 ± 0.0004 Å
b	12.9265 ± 0.0004 Å
c	15.6367 ± 0.0007 Å
α	90°
β	98.7577 ± 0.0012°
γ	90°
Cell volume	2304.16 ± 0.15 Å³
Cell temperature	193.1 K
Ambient diffraction temperature	193.1 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0624
Weighted residual factors for all reflections included in the refinement	0.1842
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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