Crystallography Open Database

Information card for entry 4328235

Preview

Coordinates	4328235.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H48 N2 O4 Ti
Calculated formula	C44 H48 N2 O4 Ti
Title of publication	Cytotoxicity and Hydrolysis of trans-Ti(IV) Complexes of Salen Ligands: Structure-Activity Relationship Studies
Authors of publication	Avia Tzubery; Edit Y. Tshuva
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	1796 - 1804
a	9.101 ± 0.004 Å
b	26.33 ± 0.01 Å
c	17.051 ± 0.007 Å
α	90°
β	101.481 ± 0.007°
γ	90°
Cell volume	4004 ± 3 Å³
Cell temperature	123 ± 1 K
Ambient diffraction temperature	123 ± 1 K
Number of distinct elements	5
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	0.0998
Residual factor for significantly intense reflections	0.0837
Weighted residual factors for significantly intense reflections	0.2176
Weighted residual factors for all reflections included in the refinement	0.2284
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179385 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/82.	4328235.cif
77185	2013-03-24	cif/ Adding structures of 4328235 via cif-deposit CGI script.	4328235.cif