Crystallography Open Database

Information card for entry 7063404

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Coordinates	7063404.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C118 H98 Cl2 Cu2 N2 P6 Pd S2
Calculated formula	C118 H98 Cl2 Cu2 N2 P6 Pd S2
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	11.6827 ± 0.0001 Å
b	14.2202 ± 0.0001 Å
c	16.7498 ± 0.0001 Å
α	69.418 ± 0.001°
β	78.053 ± 0.001°
γ	83.557 ± 0.001°
Cell volume	2546.24 ± 0.04 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	0.0436
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.1063
Weighted residual factors for all reflections included in the refinement	0.1075
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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