Information card for entry 4335275

Structure parameters

• Formula: C47 H47 I N8 O16 Pd
• Calculated formula: C47 H47 I N8 O16 Pd
• SMILES: [Pd](I)([n]1ccc(cc1)N(C)C)([n]1ccc(cc1)N(C)C)c1c2cc(cc1Oc1c(cc(c(c1)Oc1cccc(c1)Oc1c(cc(c(c1)O2)N(=O)=O)N(=O)=O)N(=O)=O)N(=O)=O)C(=O)OCC.O=C(C)C.O=C(C)C
• 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: 11.3264 ± 0.0002 Å
• b: 13.0219 ± 0.0002 Å
• c: 17.6812 ± 0.0003 Å
• α: 96.8898 ± 0.0008°
• β: 99.1061 ± 0.0009°
• γ: 97.6194 ± 0.0007°
• Cell volume: 2525.62 ± 0.07 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: 0.0772
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No