Crystallography Open Database

Information card for entry 4086998

Preview

Coordinates	4086998.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H53 F12 N2 O4 P Pd
Calculated formula	C49 H53 F12 N2 O4 P Pd
Title of publication	Comparative Structural Analysis of Biarylphosphine Ligands in Arylpalladium Bromide and Malonate Complexes
Authors of publication	Goutierre, Anne-Sophie; Trinh, Huu Vinh; Larini, Paolo; Jazzar, Rodolphe; Baudoin, Olivier
Journal of publication	Organometallics
Year of publication	2017
Journal volume	36
Journal issue	1
Pages of publication	129
a	9.4972 ± 0.0005 Å
b	22.771 ± 0.001 Å
c	22.735 ± 0.001 Å
α	90°
β	100.095 ± 0.005°
γ	90°
Cell volume	4840.6 ± 0.4 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0912
Residual factor for significantly intense reflections	0.0608
Weighted residual factors for all reflections	0.1386
Weighted residual factors for significantly intense reflections	0.1143
Weighted residual factors for all reflections included in the refinement	0.1386
Goodness-of-fit parameter for all reflections included in the refinement	0.9765
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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