Information card for entry 7024309

Structure parameters

• Formula: C28 H27 N3 Pd
• Calculated formula: C28 H27 N3 Pd
• SMILES: [Pd]12(c3ccccc3C[N]2(C)C)[N](c2ccccc2)=CC2=CC=CC2=CN1c1ccccc1
• 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: 11.2909 ± 0.0006 Å
• b: 13.9873 ± 0.0008 Å
• c: 15.0483 ± 0.0008 Å
• α: 87.193 ± 0.004°
• β: 87.521 ± 0.004°
• γ: 76.18 ± 0.004°
• Cell volume: 2303.8 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1122
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 0.681
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No