Crystallography Open Database

Information card for entry 4068804

Preview

Coordinates	4068804.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45.75 H56 Cl2 F3 N2 Ni O3 P2 S Ti
Calculated formula	C45.75 H53 Cl2 F3 N2 Ni O3 P2 S Ti
Title of publication	Nickel(II), Palladium(II), and Platinum(II) η3-Allyl Complexes Bearing a Bidentate Titanium(IV) Phosphinoamide Ligand: A Ti←M2Dative Bond Enhances the Electrophilicity of the π-Allyl Moiety
Authors of publication	Tsutsumi, Hironori; Sunada, Yusuke; Shiota, Yoshihito; Yoshizawa, Kazunari; Nagashima, Hideo
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	7
Pages of publication	1988
a	20.222 ± 0.007 Å
b	15.556 ± 0.005 Å
c	15.826 ± 0.005 Å
α	90°
β	102.066 ± 0.006°
γ	90°
Cell volume	4868 ± 3 Å³
Cell temperature	123.1 K
Number of distinct elements	10
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0961
Weighted residual factors for all reflections included in the refinement	0.2857
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4068804.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068804.cif
39980	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068804 via cif-deposit CGI script.	4068804.cif