Crystallography Open Database

Information card for entry 4073986

Preview

Coordinates	4073986.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H66 O5 S2 Ti
Calculated formula	C41 H66 O5 S2 Ti
Title of publication	Titanium Ester Enolate Complex Supported by a Tetradentate Bis(phenolato) Ligand: Synthesis, Structure, and Activity in Methacrylate Polymerization
Authors of publication	Lian, Bing; Spaniol, Thomas P.; Okuda, Jun
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	26
Pages of publication	6653
a	10.8126 ± 0.001 Å
b	13.3683 ± 0.0012 Å
c	16.3273 ± 0.0015 Å
α	105.48 ± 0.0015°
β	94.0812 ± 0.0016°
γ	94.0877 ± 0.0016°
Cell volume	2258.6 ± 0.4 Å³
Cell temperature	243 ± 2 K
Ambient diffraction temperature	243 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1117
Residual factor for significantly intense reflections	0.0521
Weighted residual factors for significantly intense reflections	0.1091
Weighted residual factors for all reflections included in the refinement	0.1229
Goodness-of-fit parameter for all reflections included in the refinement	0.8
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
178628 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/39.	4073986.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4073986.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4073986.cif
46663	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4073984, 4073985, 4073986 via cif-deposit CGI script.	4073986.cif