Crystallography Open Database

Information card for entry 2214363

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Structure parameters

Chemical name	Bis(acetylacetonato-κ^2^O,O')[2,2'-methylenebis(4,6-xylenolato)-κ^2^O,O'] titanium(IV)
Formula	C27 H32 O6 Ti
Calculated formula	C27 H32 O6 Ti
SMILES	[Ti]123(OC(=CC(=[O]1)C)C)(OC(=CC(=[O]2)C)C)Oc1c(cc(cc1Cc1c(O3)c(cc(c1)C)C)C)C
Title of publication	Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')[2,2'-methylenebis(4,6-xylenolato)-κ^2^<i>O</i>,<i>O</i>']titanium(IV)
Authors of publication	Balakrishna, Maravanji S.; Panda, Rashmishree; Mague, Joel T.
Journal of publication	Acta Crystallographica Section E
Year of publication	2007
Journal volume	63
Journal issue	7
Pages of publication	m1815 - m1815
a	8.3605 ± 0.0009 Å
b	9.3419 ± 0.0007 Å
c	17.652 ± 0.001 Å
α	92.472 ± 0.005°
β	95.599 ± 0.007°
γ	107.209 ± 0.007°
Cell volume	1306.91 ± 0.19 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0878
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.1112
Weighted residual factors for all reflections included in the refinement	0.1269
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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