Information card for entry 7114453

Structure parameters

• Formula: C56 H54 N10 O4 Pd2
• Calculated formula: C56 H54 N10 O4 Pd2
• SMILES: c12cccc3[n]1[Pd](N(C2=O)CCc1ccccc1)(N(C3=O)CCc1ccccc1)Nc1ccc(N[Pd]23[n]4c(cccc4C(=O)N3CCc3ccccc3)C(=O)N2CCc2ccccc2)cc1.N#CC.N#CC
• Title of publication: Architectural formation of a conjugated bimetallic Pd(II) complex via oxidative complexation and a tetracyclic Pd(II) complex via self-assembling complexation
• Authors of publication: Moriuchi, Toshiyuki; Kamikawa, Masayuki; Bandoh, Seiji; Hirao, Toshikazu
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2002
• Journal issue: 14
• Pages of publication: 1476 - 1477
• a: 13.959 ± 0.002 Å
• b: 9.828 ± 0.003 Å
• c: 19.603 ± 0.002 Å
• α: 90°
• β: 91.41 ± 0.01°
• γ: 90°
• Cell volume: 2688.5 ± 0.9 ų
• Cell temperature: 296.2 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 significantly intense reflections: 0.0405
• Weighted residual factors for all reflections included in the refinement: 0.0706
• Goodness-of-fit parameter for all reflections included in the refinement: 2.187
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No