Information card for entry 7005258

Structure parameters

• Formula: C60 H104 N8 O8 Pd4
• Calculated formula: C60 H104 N8 O8 Pd4
• SMILES: C(C(C)(C)C)N1[Pd]23[O]=C(O[Pd]4(N(c5cc6c(cc5N4CC(C)(C)C)N(CC(C)(C)C)[Pd]4(N6CC(C)(C)C)[O]=C(O[Pd]5(N(c6cc1c(cc6N5CC(C)(C)C)N2CC(C)(C)C)CC(C)(C)C)[O]=C(O4)C)C)CC(C)(C)C)[O]=C(O3)C)C
• Title of publication: Tetranuclear palladium complexes with benzoquinonediimine ligands: synthesis, molecular structure and electrochemistry.
• Authors of publication: Siri, Olivier; Braunstein, Pierre; Taquet, Jean-philippe; Collin, Jean-Paul; Welter, Richard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 15
• Pages of publication: 1481 - 1483
• a: 12.083 ± 0.001 Å
• b: 14.324 ± 0.002 Å
• c: 20.217 ± 0.003 Å
• α: 90°
• β: 105.02 ± 0.05°
• γ: 90°
• Cell volume: 3379.6 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1854
• Residual factor for significantly intense reflections: 0.1154
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.1578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.214
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No