Information card for entry 4345501

Structure parameters

• Formula: C12 H13 O13 P4 Y
• Calculated formula: C12 H13 O13 P4 Y
• Title of publication: Robust Multifunctional Yttrium-Based Metal-Organic Frameworks with Breathing Effect.
• Authors of publication: Firmino, Ana D. G.; Mendes, Ricardo F.; Antunes, Margarida M.; Barbosa, Paula C.; Vilela, Sérgio M F; Valente, Anabela A.; Figueiredo, Filipe M. L.; Tomé, João P C; Paz, Filipe A Almeida
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 1193 - 1208
• a: 9.2453 ± 0.0007 Å
• b: 10.093 ± 0.0008 Å
• c: 11.778 ± 0.0009 Å
• α: 97.803 ± 0.003°
• β: 104.205 ± 0.004°
• γ: 111.348 ± 0.004°
• Cell volume: 961 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No