Information card for entry 7024297

Structure parameters

• Formula: C21 H19 Cl2 F N2 Pd
• Calculated formula: C21 H19 Cl2 F N2 Pd
• SMILES: [Pd]1(c2cccc3ccc4ccc[n]1c4c23)(F)[n]1c(cccc1C)C.ClCCl
• Title of publication: Synthesis and reactivity of palladium(II) fluoride complexes containing nitrogen-donor ligands.
• Authors of publication: Ball, Nicholas D.; Kampf, Jeff W.; Sanford, Melanie S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 2
• Pages of publication: 632 - 640
• a: 13.904 ± 0.004 Å
• b: 11.409 ± 0.003 Å
• c: 14.366 ± 0.004 Å
• α: 90°
• β: 117.158 ± 0.003°
• γ: 90°
• Cell volume: 2027.6 ± 1 ų
• Cell temperature: 108 ± 2 K
• Ambient diffraction temperature: 108 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0508
• Weighted residual factors for all reflections included in the refinement: 0.0551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No