Crystallography Open Database

Information card for entry 4119680

4119679 << 4119680 >> 4119681

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Coordinates	4119680.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H22 Cl2 N3 O0.5 Pd
Calculated formula	C28 H22.01 Cl2 N3 O0.5 Pd
Title of publication	A Detailed Study of Acetate-Assisted C-H Activation at Palladium(IV) Centers
Authors of publication	Ansis Maleckis; Jeff W. Kampf; Melanie S. Sanford
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	6618 - 6625
a	13.9621 ± 0.001 Å
b	12.8717 ± 0.0002 Å
c	13.3016 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2390.51 ± 0.18 Å³
Cell temperature	85 ± 2 K
Ambient diffraction temperature	85 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0221
Residual factor for significantly intense reflections	0.0219
Weighted residual factors for significantly intense reflections	0.0548
Weighted residual factors for all reflections included in the refinement	0.0549
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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