Information card for entry 4308393

Structure parameters

• Formula: C42 H42 Cl2 N2 O4 Pd
• Calculated formula: C42 H42 Cl2 N2 O4 Pd
• SMILES: O=C(C)C.[Pd](Cl)(Cl)([n]1ccc(C(c2ccccc2)(O)c2ccccc2)cc1)[n]1ccc(C(c2ccccc2)(O)c2ccccc2)cc1.O=C(C)C
• 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: 7.2997 ± 0.0009 Å
• b: 18.591 ± 0.002 Å
• c: 14.631 ± 0.002 Å
• α: 90°
• β: 103.959 ± 0.002°
• γ: 90°
• Cell volume: 1926.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0717
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1559
• Weighted residual factors for all reflections included in the refinement: 0.1588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.244
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No