Information card for entry 2209974

Structure parameters

• Chemical name: Chloro[2-{1-[N-(4-methylbenzyl)-N-methylamino]ethyl}ferrocenyl- κ^2^N,C^1^](triphenylphosphine-κP)palladium(II)
• Formula: C39 H39 Cl Fe N P Pd
• Calculated formula: C39 H39 Cl Fe N P Pd
• SMILES: [Pd]1([c]23[Fe]456789%10([cH]2[cH]4[cH]5[c]36C([N]1(C)Cc1ccc(C)cc1)C)[cH]1[cH]7[cH]8[cH]9[cH]%101)(Cl)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Chloro[2-{1-[<i>N</i>-methyl-<i>N</i>-(4-methylbenzyl)amino]ethyl}ferrocenyl-κ^2^<i>N</i>,<i>C</i>^1^](triphenylphosphine-κ<i>P</i>)palladium(II)
• Authors of publication: Feng-Ying Geng; Jian Xu; Hong-Fei Wu; Ren-Qing Gao; Hong-Xing Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: m1912 - m1913
• a: 10.305 ± 0.003 Å
• b: 10.681 ± 0.004 Å
• c: 17.584 ± 0.006 Å
• α: 92.012 ± 0.005°
• β: 105.451 ± 0.004°
• γ: 115.978 ± 0.004°
• Cell volume: 1651.1 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0408
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes