Crystallography Open Database

Information card for entry 4068419

Preview

Coordinates	4068419.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43.7 H45.1 Cl0.3 O2 P2 Pd Ti
Calculated formula	C43.7 H44.7 Cl0.3 O2 P2 Pd Ti
Title of publication	Bi- and Trinuclear Complexes of Group 4 Metal and Palladium Bridged by OPPh2Groups: Synthesis and High Catalytic Activities in Double Hydrophosphinylation of 1-Octyne
Authors of publication	Mizuta, Tsutomu; Miyaji, Chihiro; Katayama, Takafumi; Ushio, Jun-ichi; Kubo, Kazuyuki; Miyoshi, Katsuhiko
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	2
Pages of publication	539
a	19.8889 ± 0.0012 Å
b	10.1284 ± 0.0006 Å
c	20.0295 ± 0.0012 Å
α	90°
β	102.708 ± 0.002°
γ	90°
Cell volume	3936 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.1741
Residual factor for significantly intense reflections	0.0975
Weighted residual factors for significantly intense reflections	0.1535
Weighted residual factors for all reflections included in the refinement	0.1822
Goodness-of-fit parameter for all reflections included in the refinement	1.154
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4068419.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068419.cif
39755	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068419, 4068420, 4068421, 4068422 via cif-deposit CGI script.	4068419.cif