Crystallography Open Database

Information card for entry 7030256

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Structure parameters

Formula	C32 H52 O6 Ti
Calculated formula	C32 H52 O6 Ti
SMILES	[Ti]12([O](Cc3cc(C)cc(c3O1)C(C)(C)C)C)(OC(C)C)(OC(C)C)[O](Cc1cc(C)cc(c1O2)C(C)(C)C)C
Title of publication	New bis(aryloxy)-Ti(IV) complexes and their use for the selective dimerization of ethylene to 1-butene.
Authors of publication	Grasset, Fabien; Cazaux, Jean-Benoît; Magna, Lionel; Braunstein, Pierre; Oliver-Bourbigou, Hélène
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	34
Pages of publication	10396 - 10404
a	13.194 ± 0.0004 Å
b	13.238 ± 0.0003 Å
c	19.843 ± 0.0008 Å
α	78.242 ± 0.001°
β	76.021 ± 0.0012°
γ	85.207 ± 0.0009°
Cell volume	3290.46 ± 0.18 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.1134
Residual factor for significantly intense reflections	0.0594
Weighted residual factors for significantly intense reflections	0.1374
Weighted residual factors for all reflections included in the refinement	0.163
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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