Crystallography Open Database

Information card for entry 4067699

Preview

Coordinates	4067699.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H68 Cl2 N2 O2 Ti
Calculated formula	C55 H68 Cl2 N2 O2 Ti
Title of publication	Synthesis and Structural Characterization of a Novel Family of Titanium Complexes Bearing a Tridentate Bis-phenolate-N-heterocyclic Carbene Dianionic Ligand and Their Use in the Controlled ROP ofrac-Lactide
Authors of publication	Romain, Charles; Brelot, Lydia; Bellemin-Laponnaz, Stéphane; Dagorne, Samuel
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	5
Pages of publication	1191
a	17.1459 ± 0.0007 Å
b	17.1459 ± 0.0007 Å
c	17.4839 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	5139.9 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.1006
Residual factor for significantly intense reflections	0.0616
Weighted residual factors for significantly intense reflections	0.1327
Weighted residual factors for all reflections included in the refinement	0.1582
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
178567 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/76.	4067699.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067699.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4067699.cif
34270	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4067699, 4067700, 4067701, 4067702, 4067703 via cif-deposit CGI script.	4067699.cif