Information card for entry 7226258

Structure parameters

• Formula: C24 H16 Cl N3 O2
• Calculated formula: C24 H16 Cl N3 O2
• SMILES: c1c2c3c(cn1)ccc1c3c(cc2)c[n+](c1)Cc1ccnc2c1cccc2.[Cl-].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: 14.075 ± 0.002 Å
• b: 7.9884 ± 0.0011 Å
• c: 17.57 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1975.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1968
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1519
• Weighted residual factors for all reflections included in the refinement: 0.2065
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No