Crystallography Open Database

Information card for entry 7052422

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Coordinates	7052422.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H79 N2 O8 Ti2
Calculated formula	C37 H79 N2 O8 Ti2
Title of publication	Amine adducts of titanium tetraalkoxides
Authors of publication	Fric, Helmut; Schubert, Ulrich
Journal of publication	New Journal of Chemistry
Year of publication	2005
Journal volume	29
Journal issue	1
Pages of publication	232
a	9.6481 ± 0.0011 Å
b	9.8787 ± 0.0011 Å
c	12.2188 ± 0.0014 Å
α	78.936 ± 0.002°
β	82.489 ± 0.002°
γ	78.503 ± 0.002°
Cell volume	1114.8 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0401
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.0986
Weighted residual factors for all reflections included in the refinement	0.1006
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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