Information card for entry 7127163

Structure parameters

• Common name: [Zn(NCP2)2(O2CH)2]
• Chemical name: catena-((4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)biphenyl-4-carboxylato)bis(mu2-methanoato)-di-zinc)
• Formula: C54 H32 N8 O8 Zn2
• Calculated formula: C54 H32 N8 O8 Zn2
• 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: 8.403 ± 0.0017 Å
• b: 24.858 ± 0.005 Å
• c: 33.616 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7022 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1316
• Weighted residual factors for all reflections included in the refinement: 0.1498
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No