Information card for entry 4325355

Structure parameters

• Formula: C76.5 H63.5 Bi2 Cl4 Mn6 N7.5 O38.5
• Calculated formula: C67.2 H48 Bi2 Mn6 N3.4 O38.4
• Title of publication: Synthetic Entry into Polynuclear Bismuth-Manganese Chemistry: High Oxidation State BiIII2MnIV6 and BiIIIMnIII10 Complexes
• Authors of publication: Theocharis C. Stamatatos; Katie Oliver; Khalil A. Abboud; George Christou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 5272 - 5282
• a: 26.2209 ± 0.0015 Å
• b: 26.2209 ± 0.0015 Å
• c: 26.591 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 18282 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0997
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.154
• Weighted residual factors for all reflections included in the refinement: 0.1647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No