Information card for entry 4088483

Structure parameters

• Formula: C38 H48 N4 O2 Pd
• Calculated formula: C38 H48 N4 O2 Pd
• SMILES: [Pd]12([n]3c(c4[n]1ccc(c4)C(C)(C)C)cc(cc3)C(C)(C)C)N(c1c(C2=Nc2c(cccc2C)C)cccc1)C=O.O(CC)CC
• Title of publication: Synthesis of Aryl-, Benzoyl-, and Iminobenzoyl-Palladium(II) Complexes Derived from N-Phenyl Formamide. Synthesis of a Homoleptic Ball-Shaped Tetranuclear Palladium Complex
• Authors of publication: Vicente-Hernandez, Inmaculada; Chicote, María-Teresa; Vicente, José; Bautista, Delia
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 8
• Pages of publication: 1107
• a: 13.759 ± 0.001 Å
• b: 16.554 ± 0.0012 Å
• c: 15.9444 ± 0.0012 Å
• α: 90°
• β: 103.333 ± 0.002°
• γ: 90°
• Cell volume: 3533.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0347
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No