Information card for entry 7044856

Structure parameters

• Formula: C237 H350 Cl6 Mn20 N18 O56
• Calculated formula: C237 H343 Cl6 Mn20 N18 O56
• Title of publication: The remarkable influence of N,O-ligands in the assembly of a bis-calix[4]arene-supported [MnMnMn] cluster.
• Authors of publication: Coletta, Marco; Sanz, Sergio; McCormick, Laura J.; Teat, Simon J.; Brechin, Euan K.; Dalgarno, Scott J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• a: 18.3953 ± 0.0007 Å
• b: 45.6912 ± 0.0018 Å
• c: 40.7908 ± 0.0016 Å
• α: 90°
• β: 99.212 ± 0.002°
• γ: 90°
• Cell volume: 33843 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• 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: 0.1049
• Residual factor for significantly intense reflections: 0.0822
• Weighted residual factors for significantly intense reflections: 0.2031
• Weighted residual factors for all reflections included in the refinement: 0.2219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No