Information card for entry 7007470

Structure parameters

• Common name: P,N,N-(1-(2-diphenylphosphino-ethyl)-4-methyl-piperazine)- chloro-palladium tetraaqua-bis(sulfato)magnesium hexahydrate
• Chemical name: P,N,N-{1-(2-diphenylphosphino-ethyl)-4-methyl-piperazine}- chloro-palladium tetraaqua-bis(sulfato)magnesium hexahydrate
• Formula: C38 H70 Cl2 Mg N4 O18 P2 Pd2 S2
• Calculated formula: C38 H70 Cl2 Mg N4 O18 P2 Pd2 S2
• SMILES: [P]1(CC[N]23CC[N](CC2)(C)[Pd]13Cl)(c1ccccc1)c1ccccc1.S(=O)(=O)(O[Mg]([OH2])([OH2])(OS(=O)(=O)[O-])([OH2])[OH2])[O-].O.O.O.[P]1(CC[N]23CC[N](CC2)(C)[Pd]13Cl)(c1ccccc1)c1ccccc1.O.O.O
• Title of publication: Concise syntheses of tridentate PNE ligands and their coordination chemistry with palladium(II) : a solution- and solid-state study.
• Authors of publication: Anderson, Carly E.; Apperley, David C.; Batsanov, Andrei S.; Dyer, Philip W.; Howard, Judith A. K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 34
• Pages of publication: 4134 - 4145
• a: 16.9252 ± 0.0017 Å
• b: 8.6573 ± 0.0009 Å
• c: 18.0774 ± 0.0018 Å
• α: 90°
• β: 92.94 ± 0.01°
• γ: 90°
• Cell volume: 2645.3 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 9
• 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: 0.0313
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.0565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No