Information card for entry 4315480

Structure parameters

• Formula: C152 H131 Br3 Mn12 N42 O22
• Calculated formula: C152 H130 Br3 Mn12 N42 O22
• Title of publication: Rare Oxidation-State Combinations and Unusual Structural Motifs in Hexanuclear Mn Complexes Using 2-Pyridyloximate Ligands
• Authors of publication: Constantinos C. Stoumpos; Ross Inglis; Olivier Roubeau; Harikleia Sartzi; Alexandros A. Kitos; Constantinos J. Milios; Guillem Aromí; Anastasios J. Tasiopoulos; Vasilios Nastopoulos; Euan K. Brechin; Spyros P. Perlepes
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 4388 - 4390
• a: 12.364 ± 0.002 Å
• b: 31.637 ± 0.004 Å
• c: 22.786 ± 0.003 Å
• α: 90°
• β: 94.968 ± 0.002°
• γ: 90°
• Cell volume: 8879 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0787
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1674
• Weighted residual factors for all reflections included in the refinement: 0.1778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No