Information card for entry 7226261

Structure parameters

• Formula: C64 H76 N16 O36 Pd2
• Calculated formula: C64 H76 N16 O36 Pd2
• SMILES: c1cc2cc[n]1[Pd]1([n]3c(cc(C[n+]4ccc(c5cc[n](cc5)[Pd]5([n]6c(cc(C[n+]7ccc2cc7)c2ccccc62)C)[NH2]CC[NH2]5)cc4)c2ccccc32)C)[NH2]CC[NH2]1.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].c12cccc(c1cccc2OCCOCCO)OCCOCCO.O.O.O.O.O.O.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=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: 12.4048 ± 0.0012 Å
• b: 13.2527 ± 0.0013 Å
• c: 13.3614 ± 0.0013 Å
• α: 66.448 ± 0.002°
• β: 80.549 ± 0.002°
• γ: 83.081 ± 0.002°
• Cell volume: 1982.6 ± 0.3 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: 0.08
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1827
• Weighted residual factors for all reflections included in the refinement: 0.1947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No