Information card for entry 7033811

Structure parameters

• Formula: C20 H29 Cu2 N3 O13
• Calculated formula: C20 H29 Cu2 N3 O13
• Title of publication: The synthesis, structure, topology and catalytic application of a novel cubane-based copper(ii) metal-organic framework derived from a flexible amido tripodal acid.
• Authors of publication: Karmakar, Anirban; Oliver, Clive L.; Roy, Somnath; Öhrström, Lars
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 22
• Pages of publication: 10156 - 10165
• a: 18.9809 ± 0.0012 Å
• b: 18.9809 ± 0.0012 Å
• c: 17.5707 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6330.3 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0775
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1588
• Weighted residual factors for all reflections included in the refinement: 0.1712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No