Information card for entry 4308395

Structure parameters

• Formula: C44 H46 Cl2 N2 O4 Pd
• Calculated formula: C44 H46 Cl2 N2 O4 Pd
• SMILES: [Pd]([n]1ccc(C(c2ccccc2)(O)c2ccccc2)cc1)([n]1ccc(C(c2ccccc2)(O)c2ccccc2)cc1)(Cl)Cl.C1COCC1.C1COCC1
• 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: 7.9754 ± 0.0007 Å
• b: 11.22 ± 0.001 Å
• c: 11.543 ± 0.001 Å
• α: 100.534 ± 0.002°
• β: 96.889 ± 0.002°
• γ: 98.944 ± 0.002°
• Cell volume: 991.38 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0275
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No