Information card for entry 7239331

Structure parameters

• Formula: C19 H20 Cu N O5 P2
• Calculated formula: C19 H20 Cu N O5 P2
• Title of publication: Supramolecular interactions impacting on the water stability of tubular metal‒organic frameworks
• Authors of publication: Taddei, Marco; Ienco, Andrea; Costantino, Ferdinando; Guerri, Annalisa
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 48
• Pages of publication: 26177
• a: 5.6921 ± 0.0002 Å
• b: 13.3051 ± 0.0005 Å
• c: 13.9862 ± 0.0006 Å
• α: 64.365 ± 0.004°
• β: 80.711 ± 0.003°
• γ: 86.393 ± 0.003°
• Cell volume: 942.42 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No