Information card for entry 7701231

Structure parameters

• Common name: UHM-63
• Formula: C204.94 H117.76 Cl0.47 Cu12 N0.47 O66.53 P6
• Calculated formula: C204.936 H117.744 Cl0.47 Cu12 N0.468 O66.53 P6
• 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: 18.642 ± 0.0004 Å
• b: 25.2812 ± 0.0004 Å
• c: 33.3107 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15699.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 71
• Hermann-Mauguin space group symbol: I m m m
• Hall space group symbol: -I 2 2
• Residual factor for all reflections: 0.1552
• Residual factor for significantly intense reflections: 0.1168
• Weighted residual factors for significantly intense reflections: 0.3273
• Weighted residual factors for all reflections included in the refinement: 0.3726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.209
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No