Information card for entry 8102281

Structure parameters

• Common name: Chloro[2-{1-[N-methyl-N-(4-methoxybenzyl)-amino]ethyl} ferrocenyl-kappa^2^N,C^1^](triphenylphosphine-kappaP)palladium(II)
• Formula: C39 H41 Cl Fe N O2 P Pd
• Calculated formula: C39 H39 Cl Fe N O2 P Pd
• Title of publication: Crystal structure of chloro(2-{1-[N-methyl-N-(4-methoxybenzyl)-amino]ethyl}ferrocenyl-κ2N,C1)(triphenylphosphine- κP)palladium(II) monohydrate, [FePd(C5H5)(C16H19NO)Cl(PPh3)] · H2O
• Authors of publication: Ming Yue; Long-Ming Xiang; Yue Zhou
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 3
• Pages of publication: 242
• a: 9.971 ± 0.002 Å
• b: 23.823 ± 0.005 Å
• c: 17.396 ± 0.004 Å
• α: 90°
• β: 100.15 ± 0.03°
• γ: 90°
• Cell volume: 4067.6 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0952
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.2097
• Weighted residual factors for all reflections included in the refinement: 0.2242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.196
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No