Crystallography Open Database

Information card for entry 4086994

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Coordinates	4086994.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H47 Br F6 N2 P Pd
Calculated formula	C39 H47 Br F6 N2 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	24.7599 ± 0.0008 Å
b	17.799 ± 0.0005 Å
c	9.2601 ± 0.0003 Å
α	90°
β	112.788 ± 0.004°
γ	90°
Cell volume	3762.4 ± 0.2 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	0.0464
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for all reflections	0.0655
Weighted residual factors for significantly intense reflections	0.0582
Weighted residual factors for all reflections included in the refinement	0.0655
Goodness-of-fit parameter for all reflections included in the refinement	0.9403
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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