Information card for entry 7021146

Structure parameters

• Formula: C50 H44 Cl2 Fe O4 P2 Pd
• Calculated formula: C50 H44 Cl2 Fe O4 P2 Pd
• SMILES: [Pd]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(OC(=O)[c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[c]1([cH]6[cH]7[cH]8[cH]91)C(=O)O)C.ClCCl
• Title of publication: Synthesis and X-ray characterization of novel palladium(II) complexes with tunable chiral anionic counterions.
• Authors of publication: Cai, Yudong; Shi, Yian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 15
• Pages of publication: 5232 - 5236
• a: 17.696 ± 0.003 Å
• b: 13.606 ± 0.003 Å
• c: 18.782 ± 0.004 Å
• α: 90°
• β: 98.3 ± 0.004°
• γ: 90°
• Cell volume: 4474.8 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1629
• Residual factor for significantly intense reflections: 0.1347
• Weighted residual factors for significantly intense reflections: 0.1872
• Weighted residual factors for all reflections included in the refinement: 0.1985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.297
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No