Information card for entry 1548242

Structure parameters

• Formula: C136 H144 Cu8 N24 O60
• Calculated formula: C136 H144 Cu8 N24 O60
• Title of publication: Open and closed forms of the interpenetrated [Cu₂(Tae)(Bpa)₂](NO₃)₂·nH₂O: magnetic properties and high pressure CO₂/CH₄ gas sorption.
• Authors of publication: Fernández de Luis, Roberto; Larrea, Edurne S.; Orive, Joseba; Fidalgo-Marijuan, Arkaitz; Lezama, Luis; Arriortua, María I
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 3
• Pages of publication: 958 - 970
• a: 10.9218 ± 0.0004 Å
• b: 23.5976 ± 0.0005 Å
• c: 34.2826 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8835.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1328
• Residual factor for significantly intense reflections: 0.0951
• Weighted residual factors for significantly intense reflections: 0.2491
• Weighted residual factors for all reflections included in the refinement: 0.2743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No