Information card for entry 7112289

Structure parameters

• Formula: C30 H38 Cu3 N6 O12 P4
• Calculated formula: C30 H36 Cu3 N6 O12 P4
• Title of publication: Synthesis, breathing, and gas sorption study of the first isoreticular mixed-linker phosphonate based metal-organic frameworks.
• Authors of publication: Taddei, Marco; Costantino, Ferdinando; Ienco, Andrea; Comotti, Angiolina; Dau, Phuong V.; Cohen, Seth M.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 13
• Pages of publication: 1315 - 1317
• a: 9.5516 ± 0.0005 Å
• b: 12.9047 ± 0.0007 Å
• c: 13.982 ± 0.002 Å
• α: 75.544 ± 0.007°
• β: 89.628 ± 0.007°
• γ: 75.697 ± 0.005°
• Cell volume: 1614.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1324
• Residual factor for significantly intense reflections: 0.1101
• Weighted residual factors for significantly intense reflections: 0.2669
• Weighted residual factors for all reflections included in the refinement: 0.2774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.352
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Duplicate of: 7108832
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No