Information card for entry 7133569

Structure parameters

• Formula: C15 Br Mn N6 O3
• Calculated formula: C15 Br Mn N6 O3
• Title of publication: A ligand-modulated photostable Mn(I)-carbonyl complex for preferential conversion of CO₂ to CO in water.
• Authors of publication: Das, Chandan; Ghosh, Suchismita; Biswas, Rathindranath; Lahiri, Goutam K.; Dutta, Arnab
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 76
• Pages of publication: 10492 - 10495
• a: 50.2984 ± 0.0012 Å
• b: 6.8837 ± 0.0002 Å
• c: 9.6648 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3346.33 ± 0.16 ų
• Cell temperature: 104 ± 0.1 K
• Ambient diffraction temperature: 104 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.2535
• Residual factor for significantly intense reflections: 0.1739
• Weighted residual factors for significantly intense reflections: 0.3836
• Weighted residual factors for all reflections included in the refinement: 0.4032
• Goodness-of-fit parameter for all reflections included in the refinement: 2.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No