Crystallography Open Database

Information card for entry 4317596

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Coordinates	4317596.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H81 O9 Ti2 Tl
Calculated formula	C36 H81 O9 Ti2 Tl1.0004
Title of publication	From Clusters to Ionic Complexes: Structurally Characterized Thallium Titanium Double Alkoxides
Authors of publication	Timothy J. Boyle; Cecilia A. Zechmann; Todd M. Alam; Mark A. Rodriguez; Cybele A. Hijar; Brian L. Scott
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	946 - 957
a	11.0326 ± 0.0007 Å
b	15.7498 ± 0.0008 Å
c	27.8338 ± 0.0017 Å
α	90°
β	100.891 ± 0.001°
γ	90°
Cell volume	4749.3 ± 0.5 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 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	0.1689
Residual factor for significantly intense reflections	0.1093
Weighted residual factors for significantly intense reflections	0.278
Weighted residual factors for all reflections included in the refinement	0.3118
Goodness-of-fit parameter for all reflections included in the refinement	1.232
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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