Crystallography Open Database

Information card for entry 4073380

Preview

Coordinates	4073380.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H44 O2 Ti
Calculated formula	C37 H44 O2 Ti
SMILES	[Ti]1(Oc2c(cc(cc2Cc2cc(cc(c2O1)C(C)(C)C)C)C)C(C)(C)C)(Cc1ccccc1)Cc1ccccc1
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	9.946 ± 0.006 Å
b	9.941 ± 0.006 Å
c	18.143 ± 0.01 Å
α	71.33 ± 0.02°
β	74.88 ± 0.03°
γ	76.26 ± 0.03°
Cell volume	1617.2 ± 1.7 Å³
Cell temperature	173.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.097
Weighted residual factors for all reflections included in the refinement	0.201
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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.	4073380.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4073380.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4073380.cif
46307	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4073380 via cif-deposit CGI script.	4073380.cif