Information card for entry 4308392

Structure parameters

• Formula: C36 H30 Cl2 N2 O2 Pd
• Calculated formula: C36 H30 Cl2 N2 O2 Pd
• SMILES: [Pd](Cl)(Cl)([n]1ccc(C(O)(c2ccccc2)c2ccccc2)cc1)[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: 10.736 ± 0.002 Å
• b: 17.41 ± 0.002 Å
• c: 16.933 ± 0.002 Å
• α: 90°
• β: 95.584 ± 0.002°
• γ: 90°
• Cell volume: 3150 ± 0.8 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: 0.0701
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 0.868
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No