Information card for entry 7226260

Structure parameters

• Formula: C52 H63 N16 O31 Pd2
• Calculated formula: C52 H63 N16 O31 Pd2
• SMILES: c1cc2cc[n]1[Pd]1([n]3c(cc(C[n+]4ccc(c5cc[n](cc5)[Pd]5([n]6c(cc(C[n+]7ccc2cc7)c2c6cccc2)C)[NH2]CC[NH2]5)cc4)c2c3cccc2)C)[NH2]CC[NH2]1.c1(cc(ccc1)O)O.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Guest-induced stereoselective self-assembly of quinoline-containing Pd(II) and Pt(II) metallacycles
• Authors of publication: Blanco, Víctor; Abella, Dolores; Rama, Tamara; Alvariño, Cristina; García, Marcos D.; Peinador, Carlos; Quintela, José María
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 9.7594 ± 0.0002 Å
• b: 18.3309 ± 0.0004 Å
• c: 19.7117 ± 0.0004 Å
• α: 97.415 ± 0.001°
• β: 90.78 ± 0.001°
• γ: 102.782 ± 0.001°
• Cell volume: 3407.01 ± 0.12 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: 0.0925
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1722
• Weighted residual factors for all reflections included in the refinement: 0.1934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No