Information card for entry 7130608

Structure parameters

• Common name: Y-CU-45
• Formula: C360 H96 F128 O412.8 Y96
• Calculated formula: C360 H96 F128 O412.8 Y96
• Title of publication: Unravelling the synthesis of a rare-earth cluster-based metal-organic framework with spn topology.
• Authors of publication: Bicalho, Hudson A.; Saraci, Felix; Velazquez-Garcia, Jose de J; Titi, Hatem M.; Howarth, Ashlee J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2022
• Journal volume: 58
• Journal issue: 78
• Pages of publication: 10925 - 10928
• a: 36.079 ± 0.004 Å
• b: 36.079 ± 0.004 Å
• c: 36.079 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 46964 ± 9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 227
• Hermann-Mauguin space group symbol: F d -3 m :2
• Hall space group symbol: -F 4vw 2vw 3
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.61992 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No