Information card for entry 1570995

Structure parameters

• Formula: C33 H30 F3 Mn N4 O10 S
• Calculated formula: C33 H30 F3 Mn N4 O10 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: 20.9009 ± 0.0007 Å
• b: 15.2585 ± 0.0003 Å
• c: 13.0302 ± 0.0004 Å
• α: 90°
• β: 123.873 ± 0.005°
• γ: 90°
• Cell volume: 3450.2 ± 0.3 ų
• Cell temperature: 200 ± 0.1 K
• Ambient diffraction temperature: 200 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0692
• Weighted residual factors for all reflections included in the refinement: 0.0703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No