Information card for entry 4335271

Structure parameters

• Formula: C33 H31 I N6 O15 Pd
• Calculated formula: C33 H31 I N6 O15 Pd
• SMILES: [Pd]1(I)([N](CC[N]1(C)C)(C)C)c1c2cc(cc1Oc1c(cc(c(c1)Oc1cccc(c1O)Oc1c(cc(c(O2)c1)N(=O)=O)N(=O)=O)N(=O)=O)N(=O)=O)C(=O)OCC
• Title of publication: Organopalladium Complexes of Oxacalixarenes: Selecting the Lid for the Three-Dimensional Scaffold
• Authors of publication: Yulia Visitaev; Israel Goldberg; Arkadi Vigalok
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 6779 - 6781
• a: 13.2848 ± 0.0003 Å
• b: 14.4481 ± 0.0003 Å
• c: 20.1605 ± 0.0005 Å
• α: 92.3392 ± 0.0013°
• β: 107.689 ± 0.0013°
• γ: 96.2025 ± 0.0007°
• Cell volume: 3653.97 ± 0.15 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0968
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No