Information card for entry 7024308

Structure parameters

• Formula: C27 H28 N4 Pd
• Calculated formula: C27 H28 N4 Pd
• SMILES: [Pd]1(C)(N(C=C2C=CC=C2C=[N]1c1ccccc1)c1ccccc1)[n]1ccc(cc1)N(C)C
• Title of publication: Palladium complexes of 6-aminofulvene-2-aldiminate (AFA) ligands.
• Authors of publication: Bailey, Philip J.; Collins, Anna; Haack, Peter; Parsons, Simon; Rahman, Mahmudur; Smith, Damian; White, Fraser J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 6
• Pages of publication: 1591 - 1597
• a: 10.597 ± 0.0003 Å
• b: 16.3536 ± 0.0005 Å
• c: 13.4978 ± 0.0004 Å
• α: 90°
• β: 94.16 ± 0.002°
• γ: 90°
• Cell volume: 2332.99 ± 0.12 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for all reflections: 0.0995
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No