Information card for entry 7700703

Structure parameters

• Common name: 5-OH
• Formula: C19 H12 Br Mn N2 O4
• Calculated formula: C19 H12 Br Mn N2 O4
• Title of publication: Elucidating the origins of enhanced CO₂ reduction in manganese electrocatalysts bearing pendant hydrogen-bond donors.
• Authors of publication: Tignor, Steven E.; Shaw, Travis W.; Bocarsly, Andrew B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 33
• Pages of publication: 12730 - 12737
• a: 26.7689 ± 0.0016 Å
• b: 8.7144 ± 0.0006 Å
• c: 18.1821 ± 0.0011 Å
• α: 90°
• β: 120.886 ± 0.0018°
• γ: 90°
• Cell volume: 3639.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0272
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections included in the refinement: 0.0587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No