Crystallography Open Database

Information card for entry 4068805

Preview

Coordinates	4068805.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H47 Cl4 F3 N2 O3 P2 Pd S Ti
Calculated formula	C38 H45 Cl4 F3 N2 O3 P2 Pd 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	11.1976 ± 0.0013 Å
b	18.604 ± 0.002 Å
c	21.654 ± 0.002 Å
α	90°
β	101.67 ± 0.0017°
γ	90°
Cell volume	4417.7 ± 0.8 Å³
Cell temperature	123.1 K
Number of distinct elements	10
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for all reflections included in the refinement	0.1946
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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.	4068805.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068805.cif
39981	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068805 via cif-deposit CGI script.	4068805.cif