Crystallography Open Database

Information card for entry 4082426

Preview

Coordinates	4082426.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Moris-318 (Tatiana)
Formula	C18 H16 N2 O
Calculated formula	C18 H16 N2 O
Title of publication	Titanium Bis(amidinates) Bearing Electron Donating Pendant Arms as Catalysts for Stereospecific Polymerization of Propylene
Authors of publication	Elkin, Tatyana; Botoshansky, Mark; Waymouth, Robert M.; Eisen, Moris S.
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	4
Pages of publication	840
a	10.4405 ± 0.0009 Å
b	15.9721 ± 0.0014 Å
c	8.7667 ± 0.0008 Å
α	90°
β	94.598 ± 0.002°
γ	90°
Cell volume	1457.2 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.0658
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.1321
Weighted residual factors for all reflections included in the refinement	0.1417
Goodness-of-fit parameter for all reflections included in the refinement	0.905
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
178713 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/24.	4082426.cif
104403	2014-03-11	cif/ Adding structures of 4082425, 4082426, 4082427, 4082428, 4082429 via cif-deposit CGI script.	4082426.cif