Information card for entry 4305562

Structure parameters

• Formula: C39 H49 Cl4 Cu2 N11 O22 S2
• Calculated formula: C39 H46 Cl4 Cu2 N11 O22 S2
• Title of publication: Interaction of Mixed-Donor Macrocycles Containing the 1,10-Phenanthroline Subunit with Selected Transition and Post-Transition Metal Ions: Metal Ion Recognition in Competitive Liquid-Liquid Solvent Extraction of CuII, ZnII, PbII, CdII, AgI, and HgII
• Authors of publication: M. Carla Aragoni; Massimiliano Arca; Andrea Bencini; Silvia Biagini; Alexander J. Blake; Claudia Caltagirone; Francesco Demartin; Greta De Filippo; Francesco A. Devillanova; Alessandra Garau; Karsten Gloe; Francesco Isaia; Vito Lippolis; Barbara Valtancoli; Marco Wenzel
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 8391 - 8404
• a: 15.423 ± 0.003 Å
• b: 10.812 ± 0.002 Å
• c: 32.708 ± 0.007 Å
• α: 90°
• β: 99.08 ± 0.01°
• γ: 90°
• Cell volume: 5385.8 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.11
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.2093
• Weighted residual factors for all reflections included in the refinement: 0.2238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No