Information card for entry 7131704

Structure parameters

• Formula: C369 H702 N94 O130 Zr6
• Calculated formula: C87 H53 O36 Zr6
• Title of publication: A mesoporous Zr-based metal-organic framework driven by the assembly of an octatopic linker.
• Authors of publication: Ortín-Rubio, Borja; Perona-Bermejo, Cristina; Suárez Del Pino, José A; Carmona, Francisco J.; Gándara, Felipe; Navarro, Jorge A. R.; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 50
• Pages of publication: 7803 - 7806
• a: 59.677 ± 0.002 Å
• b: 59.677 ± 0.002 Å
• c: 59.677 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 212530 ± 12 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 202
• Hermann-Mauguin space group symbol: F m -3
• Hall space group symbol: -F 2 2 3
• Residual factor for all reflections: 0.145
• Residual factor for significantly intense reflections: 0.1167
• Weighted residual factors for significantly intense reflections: 0.3015
• Weighted residual factors for all reflections included in the refinement: 0.3217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.186
• Diffraction radiation wavelength: 0.82656 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No