Information card for entry 7712816

Structure parameters

• Formula: C73 H111 Mn14 N9 O51
• Calculated formula: C68 H102 Mn14 N8 O50
• Title of publication: Tetra-, tetradeca- and octadecametallic clusters of Mn
• Authors of publication: Brechin, Euan K.; Agapaki, Eleftheria; Canaj, Angelos; Nichol, Gary Stephen
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 15.108 ± 0.0002 Å
• b: 20.4454 ± 0.0004 Å
• c: 76.1586 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 23524.6 ± 0.7 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No