Information card for entry 8101723

Structure parameters

• Chemical name: dichloro-triethylphosphine-12-(3,4-dimethoxyphenyl)-4,5-dimethoxy- 11,13-diaza-tricyclo[7.3.1.0^2,7^]trideca-2(7),3,5-trien-10-one- palladium(II)
• Formula: C29 H45 Cl2 N2 O6 P Pd
• Calculated formula: C29 H45 Cl2 N2 O6 P Pd
• SMILES: [Pd](Cl)(Cl)([P](CC)(CC)CC)[NH]1[C@H]2C[C@@H](NC(=O)[C@@H]1Cc1cc(OC)c(OC)cc21)c1cc(OC)c(OC)cc1.OC.[Pd](Cl)(Cl)([P](CC)(CC)CC)[NH]1[C@@H]2C[C@H](NC(=O)[C@H]1Cc1cc(OC)c(OC)cc21)c1cc(OC)c(OC)cc1.OC
• Title of publication: Crystal structure of dichlorotriethylphosphine{12- (3,4-dimethoxyphenyl)- 4,5-dimethoxy-11,14-diaza-tricyclo[7.4.1.0^2,7^]tetradeca-2(7),3,5- trien-10-one}palladium(II) methanol solvate, PdCl~2~[P(C~2~H~5~)~3~] (C~22~H~26~N~2~O~5~) · CH~3~OH
• Authors of publication: B. Miller; M. Rüth; K. Polborn; W. Steglich; W. Beck
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 2
• Pages of publication: 145 - 146
• a: 8.4763 ± 0.0007 Å
• b: 13.135 ± 0.002 Å
• c: 15.418 ± 0.003 Å
• α: 83.99 ± 0.02°
• β: 76.596 ± 0.013°
• γ: 86.558 ± 0.012°
• Cell volume: 1659.5 ± 0.4 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: 0.043
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for all reflections: 0.0865
• Weighted residual factors for significantly intense reflections: 0.0803
• Goodness-of-fit parameter for all reflections: 1.044
• Goodness-of-fit parameter for significantly intense reflections: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No