Crystallography Open Database

Information card for entry 7028638

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Coordinates	7028638.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H50 Cl2 N2 O4 Ti
Calculated formula	C37 H50 Cl2 N2 O4 Ti
Title of publication	Heteroleptic titanium(IV) catecholato/piperazine systems and their anti-cancer properties.
Authors of publication	Hancock, Stuart L.; Gati, Rachel; Mahon, Mary F.; Tshuva, Edit Y.; Jones, Matthew D.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	3
Pages of publication	1380 - 1385
a	19.8 ± 0.0002 Å
b	12.574 ± 0.0002 Å
c	30.736 ± 0.0005 Å
α	90°
β	103.808 ± 0.001°
γ	90°
Cell volume	7431.05 ± 0.19 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1194
Residual factor for significantly intense reflections	0.0867
Weighted residual factors for significantly intense reflections	0.2228
Weighted residual factors for all reflections included in the refinement	0.2455
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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