Information card for entry 4309468

Structure parameters

• Common name: Pd2(omet-dpb)2(OAc)2, 2MeOH
• Formula: C44 H44 N4 O6 Pd2
• Calculated formula: C44 H44 N4 O6 Pd2
• SMILES: O1[Pd]23(c4ccccc4NC(=[N]2c2ccccc2)c2ccccc2)[O]=C(C)O[Pd]23([N](=C(Nc3c2cccc3)c2ccccc2)c2ccccc2)[O]=C1C.CO.CO
• 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: 11.0265 ± 0.0012 Å
• b: 18.1828 ± 0.0019 Å
• c: 10.0621 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2017.4 ± 0.4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 34
• Hermann-Mauguin space group symbol: P n n 2
• Hall space group symbol: P 2 -2n
• Residual factor for all reflections: 0.0276
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.0473
• Weighted residual factors for all reflections included in the refinement: 0.0512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No