Information card for entry 4309463

Structure parameters

• Common name: Pd2(m-TPG)(m-OAc)(n-TPG)(omet-TPG),2CD3CN
• Formula: C63 H57 N11 O2 Pd2
• Calculated formula: C63 H57 N11 O2 Pd2
• SMILES: [Pd]12([N](=C(Nc3c1cccc3)Nc1ccccc1)c1ccccc1)[O]=C(C)O[Pd]1([N](=C(N1c1ccccc1)Nc1ccccc1)c1ccccc1)([N](=C(N2c1ccccc1)Nc1ccccc1)c1ccccc1).C(#N)C.N#CC
• Title of publication: Searching for Precursors to Metal-Metal Bonded Dipalladium Species: A Study of Pd24+ Complexes
• Authors of publication: John F. Berry; F. Albert Cotton; Sergey A. Ibragimov; Carlos A. Murillo; Xiaoping Wang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 6129 - 6137
• a: 11.2088 ± 0.0011 Å
• b: 12.0449 ± 0.0012 Å
• c: 23.011 ± 0.003 Å
• α: 74.877 ± 0.002°
• β: 89.529 ± 0.002°
• γ: 71.256 ± 0.002°
• Cell volume: 2830.3 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No