Information card for entry 7031532

Structure parameters

• Formula: C18 H20 F2 N2 O4 Pd2
• Calculated formula: C18 H20 F2 N2 O4 Pd2
• SMILES: c12cc(ccc1C[NH2][Pd]12[O]=C(O[Pd]2(c3cc(ccc3C[NH2]2)F)[O]=C(O1)C)C)F
• Title of publication: A kinetico-mechanistic study on the C-H bond activation of primary benzylamines; cooperative and solid-state cyclopalladation on dimeric complexes.
• Authors of publication: Font, Helena; Font-Bardia, Mercè; Gómez, Kerman; González, Gabriel; Granell, Jaume; Macho, Israel; Martínez, Manuel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 36
• Pages of publication: 13525 - 13536
• a: 19.3777 ± 0.0018 Å
• b: 8.1701 ± 0.0009 Å
• c: 13.6078 ± 0.0012 Å
• α: 90°
• β: 116.645 ± 0.003°
• γ: 90°
• Cell volume: 1925.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections included in the refinement: 0.0624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No