Information card for entry 4329659

Structure parameters

• Formula: C40 H62 Cu4 Mn4 N8 O47
• Calculated formula: C40 H16 Cu4 Mn4 N8 O47
• 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: 10.546 ± 0.002 Å
• b: 37.161 ± 0.007 Å
• c: 19.459 ± 0.003 Å
• α: 90°
• β: 122.469 ± 0.009°
• γ: 90°
• Cell volume: 6434 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1393
• Weighted residual factors for all reflections included in the refinement: 0.1431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.738 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No