Information card for entry 7705000

Structure parameters

• Formula: C325.5 H217.5 N55.5 O55.5 Zn18
• Calculated formula: C325.5 H214.5 N55.5 O55.5 Zn18
• Title of publication: Framework induced deformation modulates the photophysical properties of ZnTetra(4-pyridyl)porphyrin incorporated within a new metal organic framework, RWLAA-1.
• Authors of publication: Alanazi, Abdulaziz A.; Wojtas, Lukasz; Mayers, Jacob M.; Miksovska, Jaroslava; Larsen, Randy W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 33
• Pages of publication: 11668 - 11674
• a: 26.8343 ± 0.0009 Å
• b: 26.8343 ± 0.0009 Å
• c: 14.8769 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9277.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 175
• Hermann-Mauguin space group symbol: P 6/m
• Hall space group symbol: -P 6
• Residual factor for all reflections: 0.1112
• Residual factor for significantly intense reflections: 0.1024
• Weighted residual factors for significantly intense reflections: 0.2904
• Weighted residual factors for all reflections included in the refinement: 0.2974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No