Crystallography Open Database

Information card for entry 7053048

Preview

Coordinates	7053048.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H49 Cl2 N O4 Ti
Calculated formula	C40 H49 Cl2 N O4 Ti
Title of publication	Salen complexes based on 1,4-diaminocyclohexane and their exploitation for the polymerisation of rac-lactide
Authors of publication	Hancock, Stuart L.; Mahon, Mary F.; Jones, Matthew D.
Journal of publication	New Journal of Chemistry
Year of publication	2013
Journal volume	37
Journal issue	7
Pages of publication	1996
a	8.835 ± 0.0002 Å
b	10.756 ± 0.0003 Å
c	20.488 ± 0.0007 Å
α	95.503 ± 0.001°
β	90.585 ± 0.001°
γ	97.92 ± 0.001°
Cell volume	1918.96 ± 0.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0685
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.1165
Weighted residual factors for all reflections included in the refinement	0.1291
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180084 (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 7/05/30.	7053048.cif
86995	2013-07-12	cif/ Adding structures of 7053044, 7053045, 7053046, 7053047, 7053048 via cif-deposit CGI script.	7053048.cif