Information card for entry 7113542

Structure parameters

• Formula: C14 H12 Mn N2 O4 S
• Calculated formula: C14 H12 Mn N2 O4 S
• Title of publication: First example of a tetra-carboxylate bridged dimanganese species
• Authors of publication: Grirrane, Abdessamad; Pastor, Antonio; Galindo, Agustín; Ienco, Andrea; Mealli, Carlo; Rosa, Patrick
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 4
• Pages of publication: 512 - 513
• a: 8.018 ± 0.003 Å
• b: 9.104 ± 0.003 Å
• c: 10.484 ± 0.004 Å
• α: 73.86 ± 0.02°
• β: 72.86 ± 0.03°
• γ: 80.71 ± 0.03°
• Cell volume: 699.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0485
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7103974
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No