Information card for entry 7043180

Structure parameters

• Formula: C192 H248.6 Ce21 N21 O118.8
• Calculated formula: C192 H231 Ce21 N21 O118.8
• Title of publication: A [Ce21] Keplerate
• Authors of publication: Canaj, Angelos; Siczek, Milosz; Lis, Tadeusz; Murrie, Mark; Brechin, Euan K.; Milios, Constantinos J.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 20.83 ± 0.005 Å
• b: 20.83 ± 0.005 Å
• c: 20.83 ± 0.005 Å
• α: 106.55 ± 0.03°
• β: 106.55 ± 0.03°
• γ: 106.55 ± 0.03°
• Cell volume: 7617 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :R
• Hall space group symbol: -P 3*
• Residual factor for all reflections: 0.1311
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1607
• Weighted residual factors for all reflections included in the refinement: 0.1983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No