Crystallography Open Database

Information card for entry 4324342

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Coordinates	4324342.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H90.5 Cl6 N6 O11.5 Ti3
Calculated formula	C68 H90.5 Cl6 N6 O11.5 Ti3
Title of publication	Different ortho and para Electronic Effects on Hydrolysis and Cytotoxicity of Diamino Bis(Phenolato) "Salan" Ti(IV) Complexes
Authors of publication	Dani Peri; Sigalit Meker; Cesar M. Manna; Edit Y. Tshuva
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	1030 - 1038
a	12.9257 ± 0.0007 Å
b	14.3936 ± 0.0008 Å
c	22.5755 ± 0.0012 Å
α	101.578 ± 0.001°
β	97.023 ± 0.001°
γ	110.178 ± 0.001°
Cell volume	3777.4 ± 0.4 Å³
Cell temperature	173 ± 1 K
Ambient diffraction temperature	173 ± 1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0732
Residual factor for significantly intense reflections	0.0646
Weighted residual factors for significantly intense reflections	0.1886
Weighted residual factors for all reflections included in the refinement	0.1955
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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