Information card for entry 4309467

Structure parameters

• Common name: Pd2(DPhBz)3(OAc), 0.67(CH3COCH3)
• Formula: C61 H52 N6 O2.67 Pd2
• Calculated formula: C61 H52 N6 O2.66667 Pd2
• SMILES: [Pd]1234[Pd]([O]=C(O1)C)(N(C(=[N]2c1ccccc1)c1ccccc1)c1ccccc1)([N](=C(N3c1ccccc1)c1ccccc1)c1ccccc1)N(C(=[N]4c1ccccc1)c1ccccc1)c1ccccc1.O=C(C)C
• 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: 11.527 ± 0.004 Å
• b: 22.807 ± 0.007 Å
• c: 58.396 ± 0.019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15352 ± 9 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No