Crystallography Open Database

Information card for entry 4068422

Preview

Coordinates	4068422.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C105 H96 O6 P8 Pd2 Ti
Calculated formula	C105 H96 O6 P8 Pd2 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	13.47 ± 0.0002 Å
b	15.291 ± 0.0003 Å
c	24.546 ± 0.0007 Å
α	95.029 ± 0.001°
β	102.054 ± 0.001°
γ	107.525 ± 0.002°
Cell volume	4652.94 ± 0.19 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0892
Residual factor for significantly intense reflections	0.0623
Weighted residual factors for significantly intense reflections	0.1603
Weighted residual factors for all reflections included in the refinement	0.1809
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178574 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/84.	4068422.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068422.cif
39755	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068419, 4068420, 4068421, 4068422 via cif-deposit CGI script.	4068422.cif