Crystallography Open Database

Information card for entry 4082239

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Coordinates	4082239.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H48 Cl2 Cu2 P2 Pd2
Calculated formula	C54 H48 Cl2 Cu2 P2 Pd2
Title of publication	Heterometallic Complexes by Transmetalation of Alkynyl Groups from Copper or Silver to Allyl Palladium Complexes: Demetalation Studies and Alkynyl Homocoupling
Authors of publication	Meana, Isabel; Espinet, Pablo; Albéniz, Ana C.
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	1
Pages of publication	1
a	20.1012 ± 0.0005 Å
b	11.2224 ± 0.0002 Å
c	22.9667 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	5180.91 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0625
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.0869
Weighted residual factors for all reflections included in the refinement	0.0931
Goodness-of-fit parameter for all reflections included in the refinement	0.964
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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