Information card for entry 7127162

Structure parameters

• Common name: [Mn(NCP2)2]
• Chemical name: catena-((4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)biphenyl-4-carboxylato)-manganese)
• Formula: C52 H30 Mn N8 O4
• Calculated formula: C52 H30 Mn N8 O4
• Title of publication: Mixed donor, phenanthroline photoactive MOFs with favourable CO₂ selectivity.
• Authors of publication: Setter, Caitlin J.; Price, Michael B.; Conte, Luke; Schmitt, Wolfgang; Batten, Stuart R.; Richardson, Christopher; Hill, Matthew R.; Babarao, Ravichandar; Macreadie, Lauren K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 87
• Pages of publication: 13377 - 13380
• a: 17.6218 ± 0.0016 Å
• b: 36.0338 ± 0.0019 Å
• c: 50.356 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 31975 ± 4 ų
• Cell temperature: 123 ± 10 K
• Ambient diffraction temperature: 123 ± 10 K
• Number of distinct elements: 5
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.1638
• Residual factor for significantly intense reflections: 0.0958
• Weighted residual factors for significantly intense reflections: 0.238
• Weighted residual factors for all reflections included in the refinement: 0.2762
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No