Crystallography Open Database

Information card for entry 4079854

Preview

Coordinates	4079854.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H90 N6 O8 Ti2
Calculated formula	C58 H90 N6 O8 Ti2
Title of publication	Facile Synthesis of Well-Defined Titanium Alkoxides Based on Benzotriazole Phenoxide Ligands: Efficient Catalysts for Ring-Opening Polymerization of Cyclic Esters
Authors of publication	Li, Chen-Yu; Yu, Chia-Jung; Ko, Bao-Tsan
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	1
Pages of publication	172
a	12.5205 ± 0.0002 Å
b	20.7663 ± 0.0003 Å
c	22.532 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	5858.42 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0632
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.1147
Weighted residual factors for all reflections included in the refinement	0.1249
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
178687 (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 4/07/98.	4079854.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4079854.cif
74084	2013-02-21	cif/ Adding structures of 4079854, 4079855, 4079856, 4079857 via cif-deposit CGI script.	4079854.cif