Information card for entry 4071516

Structure parameters

• Formula: C40 H40 N4 O2 Pd2
• Calculated formula: C40 H40 N4 O2 Pd2
• SMILES: [Pd]123[N](c4c(cccc4C)C)=C4[Pd]5([N](=C3c3ccccc3[N]1=C(C=C(O2)C)C)c1c(cccc1C)C)[N](=C(C=C(O5)C)C)c1c4cccc1
• Title of publication: New Palladacycles Containing Terdentate [C,N,O]n−(n= 0, 1, 2) or Tetradentate [N,C,O,N′]n−(n= 1, 2) Ligands. The First 1,2-Dihydroquinazoline-4-yl Complexes
• Authors of publication: Vicente, José; Chicote, María Teresa; Martínez-Martínez, Antonio Jesús; Jones, Peter G.; Bautista, Delia
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 13
• Pages of publication: 3254
• a: 19.0732 ± 0.0012 Å
• b: 15.3618 ± 0.0011 Å
• c: 24.6074 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7209.9 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.383
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No