Crystallography Open Database

Information card for entry 7248427

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Coordinates	7248427.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H48 Cl4 N8 O6 Pd2
Calculated formula	C65 H48 Cl4 N8 O6 Pd2
Title of publication	LED-induced Ru-photoredox Pd-catalyzed C–H arylation of (6-phenylpyridin-2-yl)pyrimidines and heteroaryl counterparts
Authors of publication	Antoniou, Ioakeim M.; Ioannou, Natalia; Panagiotou, Nikos; Georgiades, Savvas N.
Journal of publication	RSC Advances
Year of publication	2024
Journal volume	14
Journal issue	17
Pages of publication	12179 - 12191
a	13.693 ± 0.0003 Å
b	26.2789 ± 0.0005 Å
c	16.4539 ± 0.0004 Å
α	90°
β	102.605 ± 0.002°
γ	90°
Cell volume	5778 ± 0.2 Å³
Cell temperature	149.99 ± 0.14 K
Ambient diffraction temperature	149.99 ± 0.14 K
Number of distinct elements	6
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	0.0762
Residual factor for significantly intense reflections	0.0549
Weighted residual factors for significantly intense reflections	0.1371
Weighted residual factors for all reflections included in the refinement	0.1477
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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