Information card for entry 7053795

Structure parameters

• Formula: C38 H34 Cl2 Fe O3 P2 Pd
• Calculated formula: C38 H34 Cl2 Fe O3 P2 Pd
• SMILES: [Pd]1(Cl)(Cl)[P]([c]23[cH]4[Fe]56789%102([c]3([cH]6[cH]45)C(=O)O)[c]2([cH]7[cH]8[cH]9[cH]%102)[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.O=C(C)C
• 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: 10.7792 ± 0.0002 Å
• b: 10.9451 ± 0.0002 Å
• c: 16.5867 ± 0.0003 Å
• α: 70.834 ± 0.0009°
• β: 82.3917 ± 0.0009°
• γ: 68.1648 ± 0.0009°
• Cell volume: 1715.69 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.0683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No