Crystallography Open Database

Information card for entry 7048192

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Coordinates	7048192.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H28 N4 O4 Ti
Calculated formula	C32 H28 N4 O4 Ti
Title of publication	Cytotoxic homoleptic Ti(iv) compounds of ONO-type ligands: synthesis, structures and anti-cancer activity.
Authors of publication	Manne, Rajesh; Miller, Maya; Duthie, Andrew; Guedes da Silva, M Fátima C; Tshuva, Edit Y.; Basu Baul, Tushar S.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	48
Journal issue	1
Pages of publication	304 - 314
a	12.5941 ± 0.0013 Å
b	22.237 ± 0.002 Å
c	10.5358 ± 0.0012 Å
α	90°
β	107.237 ± 0.012°
γ	90°
Cell volume	2818.1 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1347
Residual factor for significantly intense reflections	0.0855
Weighted residual factors for significantly intense reflections	0.2253
Weighted residual factors for all reflections included in the refinement	0.2576
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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