Information card for entry 2211441

Structure parameters

• Chemical name: Chloro{1-[(1-hydroxymethyl-2-methylpropyl)iminomethyl]ferrocenyl- κ^2^C,N}(triphenylphosphine-κP)palladium(II) dichloromethane solvate
• Formula: C35 H37 Cl3 Fe N O P Pd
• Calculated formula: C35 H37 Cl3 Fe N O P Pd
• SMILES: C(Cl)Cl.[cH]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]23[Pd](Cl)([N](=C[c]83[cH]7[cH]6[cH]12)[C@@H](CO)C(C)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Chloro{1-[(1-hydroxymethyl-2-methylpropyl)iminomethyl]ferrocenyl-κ^2^<i>C</i>,<i>N</i>}(triphenylphosphine-κ<i>P</i>)palladium(II) dichloromethane solvate
• Authors of publication: Qian, Heng-Yu; Cui, Xiu-Ling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3435 - m3436
• a: 10.229 ± 0.003 Å
• b: 32.469 ± 0.0018 Å
• c: 10.686 ± 0.0016 Å
• α: 90°
• β: 90.13 ± 0.013°
• γ: 90°
• Cell volume: 3549.1 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.071
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1427
• Weighted residual factors for all reflections included in the refinement: 0.1462
• 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: Yes