Information card for entry 7707394

Structure parameters

• Formula: C74 H88 Cl2 Mn2 N12 O11
• Calculated formula: C74 H88 Cl2 Mn2 N12 O11
• Title of publication: A combined experimental and theoretical study on a single, unsupported oxo-bridged Mn(III,III) dimer coordinated to two iminobenzosemiquinone π-radical anions.
• Authors of publication: Paul, Ganesh Chandra; Sarkar, Prasenjit; Sarmah, Amrit; Shaw, Prantick; Maity, Suvendu; Mukherjee, Chandan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 25
• Pages of publication: 8768 - 8775
• a: 11.6558 ± 0.0011 Å
• b: 12.3631 ± 0.0009 Å
• c: 13.9426 ± 0.0009 Å
• α: 71.247 ± 0.006°
• β: 78.54 ± 0.007°
• γ: 82.261 ± 0.007°
• Cell volume: 1859.1 ± 0.3 ų
• Cell temperature: 100 ± 0.13 K
• Ambient diffraction temperature: 100 ± 0.13 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No