Crystallography Open Database

Information card for entry 4081080

Preview

Coordinates	4081080.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H42 P2 Pd2
Calculated formula	C26 H42 P2 Pd2
SMILES	[Pd]1234([Pd]56([CH]47C1C=CC67)([CH]12C3c2ccccc2C51)[P](CC)(CC)CC)[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	10.7215 ± 0.0002 Å
b	8.8263 ± 0.0002 Å
c	28.078 ± 0.002 Å
α	90°
β	90.708 ± 0.006°
γ	90°
Cell volume	2656.9 ± 0.2 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0354
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0758
Weighted residual factors for all reflections included in the refinement	0.0772
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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.	4081080.cif
87988	2013-08-27	cif/ Adding structures of 4081078, 4081079, 4081080, 4081081 via cif-deposit CGI script.	4081080.cif