Crystallography Open Database

Information card for entry 4073983

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Coordinates	4073983.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H24 Cl6 N P Pd
Calculated formula	C23 H24 Cl6 N P Pd
Title of publication	P,N-Chelate Complexes of Pd(II) and Pt(II) Based on a Phosphaalkene Motif: A Catalyst for the Overman−Claisen Rearrangement
Authors of publication	Dugal-Tessier, Julien; Dake, Gregory R.; Gates, Derek P.
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	25
Pages of publication	6481
a	9.865 ± 0.0003 Å
b	11.7091 ± 0.0004 Å
c	12.5723 ± 0.0005 Å
α	86.292 ± 0.001°
β	88.685 ± 0.001°
γ	69.904 ± 0.001°
Cell volume	1360.96 ± 0.08 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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	0.0519
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for significantly intense reflections	0.0993
Weighted residual factors for all reflections included in the refinement	0.1062
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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