Crystallography Open Database

Information card for entry 4311600

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Structure parameters

Common name	(2) Ti(DMP)4
Formula	C32 H36 O4 Ti
Calculated formula	C32 H36 O4 Ti
SMILES	[Ti](Oc1c(cccc1C)C)(Oc1c(cccc1C)C)(Oc1c(cccc1C)C)Oc1c(cccc1C)C
Title of publication	Synthesis and Characterization of a Series of Rubidium Alkoxides and Rubidium-Titanium Double Alkoxides
Authors of publication	Scott D. Bunge; Timothy J. Boyle; Harry D. Pratt; Todd M. Alam; Mark A. Rodriguez
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	6035 - 6041
a	9.161 ± 0.003 Å
b	9.625 ± 0.003 Å
c	16.719 ± 0.005 Å
α	78.243 ± 0.004°
β	86.099 ± 0.005°
γ	88.529 ± 0.005°
Cell volume	1439.8 ± 0.8 Å³
Cell temperature	168 ± 2 K
Ambient diffraction temperature	168 ± 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	0.0692
Residual factor for significantly intense reflections	0.0549
Weighted residual factors for significantly intense reflections	0.1237
Weighted residual factors for all reflections included in the refinement	0.1303
Goodness-of-fit parameter for all reflections included in the refinement	1.116
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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