Information card for entry 7111236

Structure parameters

• Formula: C217 H194.5 Mn14 N55.5 O41
• Calculated formula: C217 H168 Mn14 N55.5 O41
• Title of publication: Synthesis and studies of a tetradecanuclear manganese(ii)/(iii) cage
• Authors of publication: Aromí, Guillem; Bell, Aidan; Teat, Simon J.; Whittaker, A. Gavin; Winpenny, Richard E. P.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 17
• Pages of publication: 1896 - 1897
• a: 20.9499 ± 0.0018 Å
• b: 22.6189 ± 0.0019 Å
• c: 27.567 ± 0.002 Å
• α: 74.856 ± 0.002°
• β: 77.87 ± 0.002°
• γ: 69.345 ± 0.002°
• Cell volume: 11697.8 ± 1.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0961
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1601
• Weighted residual factors for all reflections included in the refinement: 0.1907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.6872 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No