Crystallography Open Database

Information card for entry 4073382

Preview

Coordinates	4073382.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H30 N3 O2 Ti
Calculated formula	C31 H40 O3 Ti
SMILES	[Ti]1(Oc2c(cc(cc2Cc2cc(cc(c2O1)C(C)(C)C)C)C)C(C)(C)C)(OCC)c1ccccc1
Title of publication	Unexpected Binuclear Bis(phenolato) Titanium (IV) {[(L)Ti(Ph)]2(μ-OEt)2} Assisted by Carbon−Oxygen Bond Cleavage and Alkali-Metal-Containing Titanium(III) Complexes [Ti(L)2·M(solv)2] (M = Li, Na, K; solv = THF, DME)
Authors of publication	Zhang, Dao
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	16
Pages of publication	4072
a	11.277 ± 0.006 Å
b	17.83 ± 0.008 Å
c	14.245 ± 0.007 Å
α	90°
β	94.076 ± 0.009°
γ	90°
Cell volume	2857 ± 2 Å³
Cell temperature	173.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for significantly intense reflections	0.067
Weighted residual factors for all reflections included in the refinement	0.11
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4073382.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4073382.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4073382.cif
46309	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4073382 via cif-deposit CGI script.	4073382.cif