Crystallography Open Database

Information card for entry 4071886

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Coordinates	4071886.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H52 Cl5 P2 Pd
Calculated formula	C58 H45 Cl5 P2 Pd
Title of publication	New Trans-Chelating Ligands and Their Complexes and Catalytic Properties in the Mizoroki−Heck Arylation of Cyclohexene
Authors of publication	Kaganovsky, Luba; Cho, Kyung-Bin; Gelman, Dmitri
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	19
Pages of publication	5139
a	25.4012 ± 0.0016 Å
b	10.4782 ± 0.0007 Å
c	19.8507 ± 0.0013 Å
α	90°
β	91.37 ± 0.001°
γ	90°
Cell volume	5281.9 ± 0.6 Å³
Cell temperature	295 ± 1 K
Ambient diffraction temperature	295 ± 1 K
Number of distinct elements	5
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	0.1344
Residual factor for significantly intense reflections	0.1072
Weighted residual factors for significantly intense reflections	0.1925
Weighted residual factors for all reflections included in the refinement	0.2035
Goodness-of-fit parameter for all reflections included in the refinement	1.261
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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