Information card for entry 4325806

Structure parameters

• Formula: C59 H74 I2 N4 Pd2
• Calculated formula: C59 H74 I2 N4 Pd2
• SMILES: [Pd]1([n]2c(c3[n]1ccc(c3)C(C)(C)C)cc(cc2)C(C)(C)C)(I)c1c(c([Pd]2([n]3c(c4[n]2ccc(c4)C(C)(C)C)cc(cc3)C(C)(C)C)I)c(cc1C)C)C.c1(ccccc1)C.c1(ccccc1)C
• Title of publication: Synthesis of Pd3Tl and Pd6Tl2 Complexes Based on a Trinuclear Aryl-Palladium(II) Complex Acting as a Metallaligand Toward Thallium(I) Through Tl-Arene and Tl-I Bonds
• Authors of publication: José Vicente; Rashmi V. Shenoy; Eloísa Martínez-Viviente; Peter G. Jones
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 7189 - 7194
• a: 22.5064 ± 0.0004 Å
• b: 12.0857 ± 0.0002 Å
• c: 22.0979 ± 0.0005 Å
• α: 90°
• β: 109.857 ± 0.003°
• γ: 90°
• Cell volume: 5653.4 ± 0.2 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: 0.0501
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No