Information card for entry 4308400

Structure parameters

• Formula: C40 H36 N2 O6 Pd
• Calculated formula: C40 H36 N2 O6 Pd
• SMILES: [Pd](OC(=O)C)([n]1ccc(C(O)(c2ccccc2)c2ccccc2)cc1)(OC(=O)C)[n]1ccc(C(O)(c2ccccc2)c2ccccc2)cc1
• Title of publication: "Venetian Blinds" Mechanism of Solvation/Desolvation in Palladium(II) Wheel-and-Axle Organic‒Inorganic Diols
• Authors of publication: Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Rogolino, Dominga; Pelizzi, Giancarlo
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Journal issue: 2
• Pages of publication: 431 - 442
• a: 7.569 ± 0.002 Å
• b: 9.995 ± 0.002 Å
• c: 12.394 ± 0.003 Å
• α: 89.584 ± 0.004°
• β: 88.114 ± 0.004°
• γ: 80.596 ± 0.003°
• Cell volume: 924.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.098
• Residual factor for significantly intense reflections: 0.0834
• Weighted residual factors for significantly intense reflections: 0.2107
• Weighted residual factors for all reflections included in the refinement: 0.2343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No