Crystallography Open Database

Information card for entry 7715924

Preview

Coordinates	7715924.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H30 Cl4 F6 N4 O6 Pd2
Calculated formula	C42 H30 Cl4 F5.996 N4 O6 Pd2
Title of publication	Orthopalladated imidazolones and thiazolones: synthesis, photophysical properties and photochemical reactivity
Authors of publication	Dumitraș, Darius; Dalmau, David; García-Orduña, Pilar; Pop, Alexandra; Silvestru, Anca; Urriolabeitia, Esteban Pablo
Journal of publication	Dalton Transactions
Year of publication	2024
a	24.7871 ± 0.0014 Å
b	10.8791 ± 0.0007 Å
c	16.2545 ± 0.001 Å
α	90°
β	101.132 ± 0.002°
γ	90°
Cell volume	4300.7 ± 0.5 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0195
Residual factor for significantly intense reflections	0.0195
Weighted residual factors for significantly intense reflections	0.049
Weighted residual factors for all reflections included in the refinement	0.0491
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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