Information card for entry 4065788

Structure parameters

• Formula: C30 H30 B F4 Fe N2 P Pd
• Calculated formula: C30 H30 B F4 Fe N2 P Pd
• SMILES: [c]123[cH]4[cH]5[cH]6[c]1(CN1C(N(C=C1)C)=[Pd]17([CH2]=[CH]1C7)[P]2(c1ccccc1)c1ccccc1)[Fe]12783456[cH]3[cH]1[cH]2[cH]7[cH]83.[B](F)(F)(F)[F-]
• Title of publication: Palladium Complexes of Planar Chiral Ferrocenyl Phosphine-NHC Ligands: New Catalysts for the Asymmetric Suzuki−Miyaura Reaction
• Authors of publication: Debono, Nathalie; Labande, Agnès; Manoury, Eric; Daran, Jean-Claude; Poli, Rinaldo
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 8
• Pages of publication: 1879
• a: 10.8197 ± 0.0004 Å
• b: 10.8701 ± 0.0004 Å
• c: 14.5015 ± 0.0006 Å
• α: 69.759 ± 0.002°
• β: 68.98 ± 0.002°
• γ: 88.366 ± 0.002°
• Cell volume: 1484.81 ± 0.1 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0694
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No