Information card for entry 7103182

Structure parameters

• Formula: C50 H74 N16 O30 Pd2
• Calculated formula: C50 H74 N16 O30 Pd2
• SMILES: c1cc2cc[n]1[Pd]1([NH2]CC[NH2]1)[n]1c3ccccc3c(C[n+]3ccc(c4cc[n](cc4)[Pd]4([NH2]CC[NH2]4)[n]4ccc(C[n+]5ccc2cc5)c2c4cccc2)cc3)cc1.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].Oc1ccc(O)cc1.O.O.O.O.O.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].O.O.O.O.O
• Title of publication: Stereoselective self-assembly of atropoisomeric Pd(II) metallocycles induced by an aromatic guest.
• Authors of publication: Abella, Dolores; Blanco, Víctor; Pía, Elena; Chas, Marcos; Platas-Iglesias, Carlos; Peinador, Carlos; Quintela, José M
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 25
• Pages of publication: 2879 - 2881
• a: 8.684 ± 0.005 Å
• b: 13.421 ± 0.005 Å
• c: 14.573 ± 0.005 Å
• α: 95.949 ± 0.005°
• β: 101.272 ± 0.005°
• γ: 106.982 ± 0.005°
• Cell volume: 1569.5 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No