Information card for entry 4329658

Structure parameters

• Formula: C120 H188.5 Cu8 Mn12 N24 O137.5
• Calculated formula: C120 H56 Cu8 Mn12 N24 O137.652
• Title of publication: Solid-State Aggregation of Metallacyclophane-Based MnIICuII One-Dimensional Ladders
• Authors of publication: Jesús Ferrando-Soria; Thais Grancha; Jorge Pasán; Catalina Ruiz-Pérez; Laura Cañadillas-Delgado; Yves Journaux; Miguel Julve; Joan Cano; Francesc Lloret; Emilio Pardo
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 7019 - 7021
• a: 14.47 ± 0.003 Å
• b: 18.537 ± 0.004 Å
• c: 37.982 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10188 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P 21 c n
• Hall space group symbol: P -2n 2a
• Residual factor for all reflections: 0.1094
• Residual factor for significantly intense reflections: 0.1083
• Weighted residual factors for significantly intense reflections: 0.3493
• Weighted residual factors for all reflections included in the refinement: 0.3521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.725
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.738 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No