Crystallography Open Database

Information card for entry 7063405

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Coordinates	7063405.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C118 H98 Cl2 Cu2 N2 P6 Pd Se2
Calculated formula	C118 H98 Cl2 Cu2 N2 P6 Pd Se2
Title of publication	Bimetallic Pd/Cu complexes of pyridylchalcogenolates and their catalytic activity in the Sonogashira reaction
Authors of publication	Pal, M. K.; Wadawale, A. P.; Dey, S.
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	36
Pages of publication	15823 - 15829
a	12.3318 ± 0.0004 Å
b	12.7988 ± 0.0005 Å
c	19.1873 ± 0.0007 Å
α	81.853 ± 0.003°
β	77.968 ± 0.003°
γ	67.8 ± 0.004°
Cell volume	2735.65 ± 0.19 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0531
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.1363
Weighted residual factors for all reflections included in the refinement	0.1424
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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