Information card for entry 7128057

Structure parameters

• Formula: C70 H170 Br12 Mn18 N18 O42
• Calculated formula: C60 H130 Br12 Mn18 N18 O32
• Title of publication: A [Mn₁₈] wheel-of-wheels.
• Authors of publication: Coletta, Marco; Tziotzi, Thomais G.; Gray, Mark; Nichol, Gary S.; Singh, Mukesh K.; Milios, Constantinos J.; Brechin, Euan K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 34
• Pages of publication: 4122 - 4125
• a: 18.408 ± 0.006 Å
• b: 23.209 ± 0.007 Å
• c: 30.524 ± 0.012 Å
• α: 90°
• β: 90.126 ± 0.005°
• γ: 90°
• Cell volume: 13041 ± 8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.146
• Residual factor for significantly intense reflections: 0.1166
• Weighted residual factors for significantly intense reflections: 0.3142
• Weighted residual factors for all reflections included in the refinement: 0.3477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No