Crystallography Open Database

Information card for entry 7002519

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Coordinates	7002519.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H23 B Cl2 N6 O Ti
Calculated formula	C27 H23 B Cl2 N6 O Ti
SMILES	[Ti]12(Cl)(Cl)(Oc3c(cccc3c3ccccc3)c3ccccc3)[n]3n(ccc3)[BH](n3[n]1ccc3)n1[n]2ccc1
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	11.6472 ± 0.0003 Å
b	13.6516 ± 0.0003 Å
c	17.3088 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2752.15 ± 0.12 Å³
Cell temperature	193.1 K
Ambient diffraction temperature	193.1 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for significantly intense reflections	0.0195
Weighted residual factors for all reflections included in the refinement	0.0609
Goodness-of-fit parameter for all reflections included in the refinement	1.003
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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