Information card for entry 2209613

Structure parameters

• Chemical name: {2-[1-(N-Benzyl-N-methylamino)ethyl]ferrocenyl- κ^2^N,C^1^}chloro(triphenylphosphine-κP)palladium(II)
• Formula: C38 H37 Cl Fe N P Pd
• Calculated formula: C38 H37 Cl Fe N P Pd
• SMILES: [Pd]1([c]23[Fe]456789%10([cH]2[cH]4[cH]5[c]36C([N]1(C)Cc1ccccc1)C)[cH]1[cH]7[cH]8[cH]9[cH]%101)(Cl)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: {2-[1-(<i>N</i>-Benzyl-<i>N</i>-methylamino)ethyl]ferrocenyl- κ^2^<i>N</i>,<i>C</i>^1^}chloro(triphenylphosphine-κ<i>P</i>)palladium(II)
• Authors of publication: Hong-Xing Wang; Feng-Ying Geng; Jian Xu; Hong-Fei Wu; Ren-Qing Gao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: m1485 - m1486
• a: 16.878 ± 0.004 Å
• b: 16.488 ± 0.004 Å
• c: 24.107 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6709 ± 3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0565
• Weighted residual factors for all reflections included in the refinement: 0.0606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes