Information card for entry 1570994

Structure parameters

• Formula: C28 H23 Br2 F4 Mn N4 O7 S
• Calculated formula: C28 H23 Br2 F4 Mn N4 O7 S
• Title of publication: Discovery of antibacterial manganese(i) tricarbonyl complexes through combinatorial chemistry.
• Authors of publication: Scaccaglia, Mirco; Birbaumer, Michael P.; Pinelli, Silvana; Pelosi, Giorgio; Frei, Angelo
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 11
• Pages of publication: 3907 - 3919
• a: 9.6506 ± 0.0003 Å
• b: 13.0241 ± 0.0004 Å
• c: 13.9603 ± 0.0004 Å
• α: 86.216 ± 0.002°
• β: 86.692 ± 0.002°
• γ: 77.039 ± 0.002°
• Cell volume: 1704.58 ± 0.09 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1324
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0344
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No