Crystallography Open Database

Information card for entry 4081078

Preview

Coordinates	4081078.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H40 P2 Pd2
Calculated formula	C20 H40 P2 Pd2
SMILES	[CH]123C4C=CC1[Pd]153([CH]3(C[Pd]2453[P](CC)(CC)CC)C1)[P](CC)(CC)CC
Title of publication	Synthesis, Electronic Structure, and Reactivity of Palladium(I) Dimers with Bridging Allyl, Cyclopentadienyl, and Indenyl Ligands
Authors of publication	Chalkley, Matthew J.; Guard, Louise M.; Hazari, Nilay; Hofmann, Peter; Hruszkewycz, Damian P.; Schmeier, Timothy J.; Takase, Michael K.
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	15
Pages of publication	4223
a	10.9917 ± 0.0012 Å
b	17.0689 ± 0.0018 Å
c	25.153 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	4719.1 ± 0.9 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0792
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.0637
Weighted residual factors for all reflections included in the refinement	0.0683
Goodness-of-fit parameter for all reflections included in the refinement	1.157
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178699 (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 4/08/10.	4081078.cif
87988	2013-08-27	cif/ Adding structures of 4081078, 4081079, 4081080, 4081081 via cif-deposit CGI script.	4081078.cif