Crystallography Open Database

Information card for entry 4325551

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Structure parameters

Formula	C26 H22 B2 F8 N10 Pd
Calculated formula	C26 H22 B2 F8 N10 Pd
SMILES	[B](F)(F)(F)[F-].[Pd]12([n]3c(cn(Cc4ncccc4)n3)c3cccc[n]13)[n]1c(cn(Cc3ncccc3)n1)c1cccc[n]21.[B](F)(F)(F)[F-]
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	5.2874 ± 0.0005 Å
b	9.1829 ± 0.001 Å
c	15.3551 ± 0.0016 Å
α	74.415 ± 0.007°
β	86.265 ± 0.007°
γ	88.227 ± 0.007°
Cell volume	716.54 ± 0.13 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	0.0292
Residual factor for significantly intense reflections	0.0256
Weighted residual factors for significantly intense reflections	0.0527
Weighted residual factors for all reflections included in the refinement	0.0543
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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