Information card for entry 4308398

Structure parameters

• Formula: C45 H49 Cl N2 O4 Pd
• Calculated formula: C45 H49 Cl N2 O4 Pd
• SMILES: [Pd](Cl)([n]1ccc(C(O)(c2ccccc2)c2ccccc2)cc1)([n]1ccc(C(O)(c2ccccc2)c2ccccc2)cc1)C.O1CCCC1.O1CCCC1
• 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: 8.027 ± 0.003 Å
• b: 11.255 ± 0.003 Å
• c: 11.55 ± 0.002 Å
• α: 100.41 ± 0.03°
• β: 96.37 ± 0.03°
• γ: 98.95 ± 0.04°
• Cell volume: 1003.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0936
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 0.858
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No