Crystallography Open Database

Information card for entry 4325545

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Structure parameters

Formula	C32 H30 B2 F8 N10 Pd
Calculated formula	C32 H30 B2 F8 N10 Pd
SMILES	[B](F)(F)(F)[F-].c1cccc2Cn3cc(c4ccccc4)n[n]3[Pd]3([n]12)[n]1n(Cc2cccc[n]32)cc(c2ccccc2)n1.C(#N)C.[B](F)(F)(F)[F-].C(#N)C
Title of publication	Palladium(II) Complexes of Readily Functionalized Bidentate 2-Pyridyl-1,2,3-triazole "Click" Ligands: A Synthetic, Structural, Spectroscopic, and Computational Study
Authors of publication	Kelly J. Kilpin; Emma L. Gavey; C. John McAdam; Christopher B. Anderson; Samuel J. Lind; Courtney C. Keep; Keith C. Gordon; James D. Crowley
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	6334 - 6346
a	9.5416 ± 0.0009 Å
b	9.5505 ± 0.0009 Å
c	11.0996 ± 0.0012 Å
α	67.881 ± 0.007°
β	68.276 ± 0.006°
γ	73.234 ± 0.007°
Cell volume	857.32 ± 0.16 Å³
Cell temperature	91 ± 2 K
Ambient diffraction temperature	91 ± 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	0.051
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.0878
Weighted residual factors for all reflections included in the refinement	0.09
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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