Crystallography Open Database

Information card for entry 4078724

Preview

Coordinates	4078724.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H60 Cl2 O4 P2 Pd2
Calculated formula	C59 H60 Cl2 O4 P2 Pd2
Title of publication	Direct Arylation of 2-Methylthiophene with Isolated [PdAr(μ-O2CR)(PPh3)]nComplexes: Kinetics and Mechanism
Authors of publication	Wakioka, Masayuki; Nakamura, Yuki; Wang, Qifeng; Ozawa, Fumiyuki
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	13
Pages of publication	4810
a	13.6884 ± 0.0013 Å
b	18.0387 ± 0.0018 Å
c	23 ± 0.002 Å
α	90°
β	98.4273 ± 0.0016°
γ	90°
Cell volume	5617.9 ± 0.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.038
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.1058
Weighted residual factors for all reflections included in the refinement	0.1078
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4078724.html