Crystallography Open Database

Information card for entry 4333797

Preview

Coordinates	4333797.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H65 N O4 Ti
Calculated formula	C39 H65 N O4 Ti
Title of publication	Titanium Complexes of Tridentate Aminebiphenolate Ligands Containing Distinct N-Alkyls: Profound N-Substituent Effect on Ring-Opening Polymerization Catalysis
Authors of publication	Lan-Chang Liang; Sheng-Ta Lin; Chia-Cheng Chien
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	1780 - 1786
a	11.105 ± 0.0004 Å
b	29.1731 ± 0.0009 Å
c	12.5302 ± 0.0004 Å
α	90°
β	103.333 ± 0.002°
γ	90°
Cell volume	3950 ± 0.2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0653
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.1406
Weighted residual factors for all reflections included in the refinement	0.1536
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
179440 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/37.	4333797.cif
99604	2014-02-03	cif/ Adding structures of 4333797 via cif-deposit CGI script.	4333797.cif