Crystallography Open Database

Information card for entry 4086012

Preview

Coordinates	4086012.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H50 Al Cl2 N O4 Ti
Calculated formula	C35 H50 Al Cl2 N O4 Ti
SMILES	[Ti]1234([O](C(C)(C)C)[Al]([O]2c5c(C[N]1(Cc1cc(cc(c1O3)C)C)Cc1cc(cc(c1O4)C)C)cc(cc5C)C)(C)C)C.ClCCl
Title of publication	Synthesis of Titanium Complexes Containing an Amine Triphenolate Ligand of the Type [TiX{(O-2,4-R2C6H2)-6-CH2}3N] and the Ti‒Al Heterobimetallic Complexes with AlMe3: Effect of a Terminal Donor Ligand in Ethylene Polymerization
Authors of publication	Nomura, Kotohiro; Tewasekson, Udomchai; Takii, Yuki
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	13
Pages of publication	3272
a	9.537 ± 0.004 Å
b	11.805 ± 0.005 Å
c	16.938 ± 0.007 Å
α	77.075 ± 0.011°
β	81.444 ± 0.008°
γ	83.505 ± 0.01°
Cell volume	1831.6 ± 1.3 Å³
Cell temperature	273 K
Ambient diffraction temperature	273 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0539
Weighted residual factors for all reflections included in the refinement	0.153
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
152884 (current)	2015-08-05	cif/ Updating files of 4086012, 4086013 Original log message: Adding full bibliography for 4086012--4086013.cif.	4086012.cif
139928	2015-07-03	cif/ Adding structures of 4086012, 4086013 via cif-deposit CGI script.	4086012.cif