Crystallography Open Database

Information card for entry 7054631

Preview

Coordinates	7054631.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H66 N2 O4 Ti
Calculated formula	C41 H66 N2 O4 Ti
Title of publication	Titanium complexes with octahedral geometry chelated by salen ligands adopting β-cis configuration for the ring-opening polymerisation of lactide
Authors of publication	Gao, Bo; Li, Xiang; Duan, Ranlong; Pang, Xuan
Journal of publication	New J. Chem.
Year of publication	2015
Journal volume	39
Journal issue	4
Pages of publication	2404
a	16.43 ± 0.0012 Å
b	26.165 ± 0.002 Å
c	21.2458 ± 0.0015 Å
α	90°
β	105.579 ± 0.001°
γ	90°
Cell volume	8797.8 ± 1.1 Å³
Cell temperature	188 ± 2 K
Ambient diffraction temperature	188 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0984
Residual factor for significantly intense reflections	0.0684
Weighted residual factors for significantly intense reflections	0.1828
Weighted residual factors for all reflections included in the refinement	0.2011
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
180100 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/46.	7054631.cif
135062	2015-04-06	cif/ Updating files of 7054631 Original log message: Adding full bibliography for 7054631.cif.	7054631.cif
129575	2015-01-13	cif/ Adding structures of 7054631 via cif-deposit CGI script.	7054631.cif