Information card for entry 7133568

Structure parameters

• Formula: C20 H13 Br Mn N5 O3
• Calculated formula: C20 H13 Br Mn N5 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: 7.9986 ± 0.0002 Å
• b: 11.2283 ± 0.0005 Å
• c: 12.0453 ± 0.0006 Å
• α: 75.135 ± 0.004°
• β: 71.203 ± 0.004°
• γ: 79.42 ± 0.003°
• Cell volume: 983.78 ± 0.08 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.1432
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No