Crystallography Open Database

Information card for entry 7712478

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Coordinates	7712478.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H66 As2 Cl6 O4 Pd
Calculated formula	C50 H66 As2 Cl6 O4 Pd
Title of publication	Steric and electronic effects of arsa-Buchwald ligands on Suzuki-Miyaura coupling reaction.
Authors of publication	Sumida, Akifumi; Ogawa, Kenta; Imoto, Hiroaki; Naka, Kensuke
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	9
Pages of publication	2838 - 2844
a	11.4318 ± 0.0008 Å
b	11.5359 ± 0.0005 Å
c	11.5689 ± 0.0006 Å
α	83.456 ± 0.004°
β	63.747 ± 0.006°
γ	80.103 ± 0.005°
Cell volume	1346.68 ± 0.15 Å³
Cell temperature	77 K
Ambient diffraction temperature	77 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0513
Residual factor for significantly intense reflections	0.0332
Weighted residual factors for significantly intense reflections	0.0658
Weighted residual factors for all reflections included in the refinement	0.0726
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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