Crystallography Open Database

Information card for entry 4333798

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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	11.0381 ± 0.0011 Å
b	12.207 ± 0.0012 Å
c	17.6583 ± 0.0018 Å
α	72.253 ± 0.006°
β	72.868 ± 0.006°
γ	75.706 ± 0.005°
Cell volume	2133 ± 0.4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.107
Residual factor for significantly intense reflections	0.0916
Weighted residual factors for significantly intense reflections	0.263
Weighted residual factors for all reflections included in the refinement	0.2719
Goodness-of-fit parameter for all reflections included in the refinement	1.09
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
301839 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure.	4333798.cif
179440	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.	4333798.cif
99605	2014-02-03	cif/ Adding structures of 4333798 via cif-deposit CGI script.	4333798.cif