Crystallography Open Database

Information card for entry 4079857

Preview

Coordinates	4079857.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H56 Cl2 N6 O4 Ti
Calculated formula	C47 H56 Cl2 N6 O4 Ti
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	10.0672 ± 0.0002 Å
b	15.48 ± 0.0003 Å
c	16.4468 ± 0.0004 Å
α	110.522 ± 0.001°
β	103.266 ± 0.001°
γ	99.374 ± 0.001°
Cell volume	2251.58 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.09
Residual factor for significantly intense reflections	0.0567
Weighted residual factors for significantly intense reflections	0.1364
Weighted residual factors for all reflections included in the refinement	0.1577
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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.	4079857.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4079857.cif
74084	2013-02-21	cif/ Adding structures of 4079854, 4079855, 4079856, 4079857 via cif-deposit CGI script.	4079857.cif