Crystallography Open Database

Information card for entry 7247392

Preview

Coordinates	7247392.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H94 Cl2 N16 O6 Pd2
Calculated formula	C53 H94 Cl2 N16 O6 Pd2
Title of publication	Nitron-derivative-based palladium carbene complexes: structural characterization, theoretical calculations, and catalytic applications in the Mizoroki–Heck coupling reaction
Authors of publication	Lee, Ming-Yi; Liao, Chih-Hsiang; Hung, Hsiu-Yu; Lee, Jhen-Yi; Lee, Hon Man
Journal of publication	RSC Advances
Year of publication	2023
Journal volume	13
Journal issue	39
Pages of publication	27434 - 27445
a	20.866 ± 0.005 Å
b	11.513 ± 0.003 Å
c	29.853 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	7172 ± 3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.1131
Residual factor for significantly intense reflections	0.0688
Weighted residual factors for significantly intense reflections	0.1763
Weighted residual factors for all reflections included in the refinement	0.2035
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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