Information card for entry 4308396

Structure parameters

• Formula: C42 H42 Cl2 N4 O4 Pd
• Calculated formula: C42 H42 Cl2 N4 O4 Pd
• SMILES: N(C=O)(C)C.[Pd]([n]1ccc(C(c2ccccc2)(O)c2ccccc2)cc1)([n]1ccc(C(c2ccccc2)(O)c2ccccc2)cc1)(Cl)Cl.N(C=O)(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: 7.191 ± 0.008 Å
• b: 15.06 ± 0.02 Å
• c: 18.84 ± 0.02 Å
• α: 90°
• β: 88.17 ± 0.02°
• γ: 90°
• Cell volume: 2039 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1346
• Residual factor for significantly intense reflections: 0.1204
• Weighted residual factors for significantly intense reflections: 0.3252
• Weighted residual factors for all reflections included in the refinement: 0.3312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.231
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No