Information card for entry 2208003

Structure parameters

• Chemical name: Chloro(2-{[N-(4-methoxybenzyl)methylamino]methyl}ferrocene-κ^2^N,C^1^) (triphenylphosphine-κP)palladium(II)
• Formula: C38 H37 Cl Fe N O P Pd
• Calculated formula: C38 H37 Cl Fe N O P Pd
• SMILES: [Pd]1([c]23[Fe]456789%10([cH]%11[cH]7[cH]6[cH]5[cH]4%11)[cH]2[cH]8[cH]9[c]3%10C[N]1(C)Cc1ccc(OC)cc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)Cl
• Title of publication: Chloro(2-{[<i>N</i>-(4-methoxybenzyl)methylamino]methyl}ferrocene-κ^2^<i>N</i>,<i>C</i>^1^)(triphenylphosphine-κ<i>P</i>)palladium(II)
• Authors of publication: Hong-Xing Wang; Hong-Fei Wu; Ren-Qing Gao; Feng-Ying Geng; Ying-Jie Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: m190 - m191
• a: 17.6945 ± 0.0019 Å
• b: 16.1753 ± 0.0017 Å
• c: 12.1585 ± 0.0013 Å
• α: 90°
• β: 106.128 ± 0.002°
• γ: 90°
• Cell volume: 3343 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 8
• 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: 0.0548
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections included in the refinement: 0.0762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes