Information card for entry 7701229

Structure parameters

• Common name: UHM-70
• Formula: C110 H91 Cd4 N4 O25 P3
• Calculated formula: C110 H91 Cd4 N4 O25 P3
• Title of publication: A new set of metal-organic frameworks synthesised from diisophthalate-based, 2'-phosphorus-substituted m-terphenyl linker molecules.
• Authors of publication: Stein, Timo; Hoffmann, Frank; Fröba, Michael
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 40
• Pages of publication: 15127 - 15135
• a: 15.7544 ± 0.0002 Å
• b: 20.0444 ± 0.0002 Å
• c: 42.0915 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13292 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.0839
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.2081
• Weighted residual factors for all reflections included in the refinement: 0.2141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No