Information card for entry 7021145

Structure parameters

• Formula: C45 H50 Cl2 Fe O4 P2 Pd Si
• Calculated formula: C45 H50 Cl2 Fe O4 P2 Pd Si
• SMILES: [Pd]1([P](c2ccccc2)(c2ccccc2)CCCC[P]1(c1ccccc1)c1ccccc1)(OC(=O)[c]12[cH]3[Fe]4567891([cH]3[cH]4[cH]25)[c]1(C(=O)O)[cH]6[cH]7[cH]8[cH]91)C[Si](C)(C)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: 12.5186 ± 0.0013 Å
• b: 17.3401 ± 0.0018 Å
• c: 20.879 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4532.3 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No