Information card for entry 7061935

Structure parameters

• Formula: C15 H25 N3 O2 Pd
• Calculated formula: C15 H25 N3 O2 Pd
• SMILES: [Pd]12([N](=CC=[N]1C(C)(C)C)C(C)(C)C)[CH]1=[CH]2C(=O)N(C1=O)C
• Title of publication: Synthesis, coordination behavior, and catalytic properties of dppf congeners with an inserted carbonyl moiety
• Authors of publication: Vosáhlo, Petr; Císařová, Ivana; Štěpnička, Petr
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 45
• Pages of publication: 21536 - 21552
• a: 17.3887 ± 0.0004 Å
• b: 9.9535 ± 0.0003 Å
• c: 19.3374 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3346.89 ± 0.15 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0216
• Residual factor for significantly intense reflections: 0.0193
• Weighted residual factors for significantly intense reflections: 0.0455
• Weighted residual factors for all reflections included in the refinement: 0.047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No