Crystallography Open Database

Information card for entry 4081079

Preview

Coordinates	4081079.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H42 P2 Pd2
Calculated formula	C24 H42 P2 Pd2
SMILES	[CH]123C4c5ccccc5C1[Pd]152([CH]2(C1)C[Pd]3452[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	15.2853 ± 0.0016 Å
b	12.135 ± 0.0012 Å
c	13.6261 ± 0.0014 Å
α	90°
β	90.114 ± 0.006°
γ	90°
Cell volume	2527.5 ± 0.4 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0607
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.0869
Weighted residual factors for all reflections included in the refinement	0.0906
Goodness-of-fit parameter for all reflections included in the refinement	1.185
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.	4081079.cif
87988	2013-08-27	cif/ Adding structures of 4081078, 4081079, 4081080, 4081081 via cif-deposit CGI script.	4081079.cif