Crystallography Open Database

Information card for entry 2012728

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Structure parameters

Chemical name	bis(2,2'-methyliminodiethanolato)-1κ^3^O,N,O';3κ^3^O,N,O'-di-μ~3~-propane- 1,3-diolato-1:2:3-κ^4^O:O,O':O'-μ-propane-1,3-diolato-1:3κ^2^O:O'-propane- 1,3-diolato-2κ^2^O,O'-trititanium(IV)
Formula	C22 H46 N2 O12 Ti3
Calculated formula	C22 H46 N2 O12 Ti3
Title of publication	Multiple bridging modes in a novel trinuclear titanium 1,3-dioxypropane compound, Ti~3~(methyliminodiethanolate)~2~(1,3-propanediolate)~4~
Authors of publication	Kemmitt, Tim; Gainsford, Graeme J.; Robson-Marsden, Hana
Journal of publication	Acta Crystallographica Section C
Year of publication	2002
Journal volume	58
Journal issue	5
Pages of publication	m310 - m312
a	11.732 ± 0.004 Å
b	18.415 ± 0.006 Å
c	13.703 ± 0.005 Å
α	90°
β	92.842 ± 0.005°
γ	90°
Cell volume	2956.8 ± 1.8 Å³
Cell temperature	168 ± 2 K
Ambient diffraction temperature	168 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.063
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.108
Weighted residual factors for all reflections included in the refinement	0.121
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

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