Information card for entry 7053796

Structure parameters

• Formula: C65 H64 Cl Fe N O9 P2 Pd
• Calculated formula: C57 H48 Cl Fe N O5 P2 Pd
• SMILES: [Pd]123([P]([c]45[cH]6[Fe]789%10%11%124([c]4([c]7([cH]8[cH]9[cH]%104)[P]1(c1ccccc1)c1ccccc1)C(=O)NCc1ccccc1)[cH]5[cH]%11[cH]6%12)(c1ccccc1)c1ccccc1)[CH](=[CH]2C3c1ccccc1)c1ccccc1.Cl(=O)(=O)(=O)[O-]
• Title of publication: Preparation, coordination and catalytic use of planar-chiral monocarboxylated dppf analogues
• Authors of publication: Lamač, Martin; Císařová, Ivana; Štěpnička, Petr
• Journal of publication: New Journal of Chemistry
• Year of publication: 2009
• Journal volume: 33
• Journal issue: 7
• Pages of publication: 1549
• a: 13.0501 ± 0.0007 Å
• b: 14.616 ± 0.001 Å
• c: 16.703 ± 0.001 Å
• α: 90°
• β: 111.357 ± 0.005°
• γ: 90°
• Cell volume: 2967.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No