Crystallography Open Database

Information card for entry 7712922

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Coordinates	7712922.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H30 Br2 N2 O5 Ti
Calculated formula	C23 H30 Br2 N2 O5 Ti
Title of publication	Phenolato Ti(IV) Hexacoordinate Complexes as Anticancer Chemotherapy: Enhancement of Solubility, Hydrolytic Stability, and Cytotoxicity
Authors of publication	Taha, Mohammad; Tshuva, Edit Y.
Journal of publication	Dalton Transactions
Year of publication	2023
a	16.9779 ± 0.0002 Å
b	12.62848 ± 0.00015 Å
c	23.5892 ± 0.0004 Å
α	90°
β	97.8428 ± 0.0013°
γ	90°
Cell volume	5010.34 ± 0.12 Å³
Cell temperature	200 ± 0.1 K
Ambient diffraction temperature	200 ± 0.1 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.052
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.0718
Weighted residual factors for all reflections included in the refinement	0.0755
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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