Information card for entry 7704802

Structure parameters

• Formula: C322 H412 Mn14 N14 O48
• Calculated formula: C322 H412 Mn14 N14 O48
• Title of publication: With complements of the ligands: an unusual S-shaped [Mn₇]₂ assembly from tethered calixarenes.
• Authors of publication: Coletta, Marco; Sanz, Sergio; Brechin, Euan K.; Dalgarno, Scott J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 28
• Pages of publication: 9882 - 9887
• a: 59.816 ± 0.008 Å
• b: 18.706 ± 0.002 Å
• c: 30.329 ± 0.004 Å
• α: 90°
• β: 104.498 ± 0.003°
• γ: 90°
• Cell volume: 32855 ± 7 ų
• Cell temperature: 100 ± 5 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1661
• Residual factor for significantly intense reflections: 0.0919
• Weighted residual factors for significantly intense reflections: 0.2566
• Weighted residual factors for all reflections included in the refinement: 0.3161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No