Crystallography Open Database

Information card for entry 1563538

Preview

Coordinates	1563538.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40.03 H46.03 N4 O4 S2 Ti
Calculated formula	C40.028 H46.026 N4 O4 S2 Ti
Title of publication	Homoleptic titanium and zirconium complexes exhibiting unusual Oiminol‒metal coordination: application in stereoselective ring-opening polymerization of lactide
Authors of publication	Roymuhury, Sagnik K.; Mandal, Mrinmay; Chakraborty, Debashis; Ramkumar, Venkatachalam
Journal of publication	Polymer Chemistry
Year of publication	2021
Journal volume	12
Journal issue	27
Pages of publication	3953 - 3967
a	17.719 ± 0.0009 Å
b	10.8186 ± 0.0005 Å
c	21.7958 ± 0.0011 Å
α	90°
β	93.293 ± 0.002°
γ	90°
Cell volume	4171.2 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.073
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.1194
Weighted residual factors for all reflections included in the refinement	0.1493
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
268962 (current)	2021-09-06	cif/ Updating files of 1563535, 1563536, 1563537, 1563538 Original log message: Adding full bibliography for 1563535--1563538.cif.	1563538.cif
266523	2021-06-17	cif/ Adding structures of 1563535, 1563536, 1563537, 1563538 via cif-deposit CGI script.	1563538.cif