Crystallography Open Database

Information card for entry 7026132

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Structure parameters

Formula	C34 H45 N O4 Ti
Calculated formula	C34 H45 N O4 Ti
Title of publication	Ti(IV)-amino triphenolate complexes as effective catalysts for sulfoxidation.
Authors of publication	Mba, Miriam; Prins, Leonard J.; Zonta, Cristiano; Cametti, Massimo; Valkonen, Arto; Rissanen, Kari; Licini, Giulia
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	31
Pages of publication	7384 - 7392
a	11.8776 ± 0.0002 Å
b	23.2811 ± 0.0003 Å
c	11.4274 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	3159.95 ± 0.09 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0454
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.0797
Weighted residual factors for all reflections included in the refinement	0.0823
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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