Information card for entry 7108831

Structure parameters

• Formula: C32 H36 Cu3 N6 O14 P4
• Calculated formula: C32 H32 Cu3 N6 O14 P4
• Title of publication: Synthesis, breathing, and gas sorption study of the first isoreticular mixed-linker phosphonate based metal-organic frameworks
• Authors of publication: Marco Taddei; Ferdinando Costantino; Andrea Ienco; Angiolina Comotti; Phuong V. Dau; Seth M. Cohen
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 13
• Pages of publication: 1315 - 1317
• a: 9.4686 ± 0.0009 Å
• b: 11.8434 ± 0.0009 Å
• c: 12.3923 ± 0.001 Å
• α: 117.656 ± 0.009°
• β: 94.288 ± 0.008°
• γ: 97.946 ± 0.007°
• Cell volume: 1203.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0865
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.164
• Weighted residual factors for all reflections included in the refinement: 0.1916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No