Information card for entry 7236665

Structure parameters

• Formula: C36 H23 N6 O16 Sc3
• Calculated formula: C36 H18 N6 O16 Sc3
• Title of publication: Controlling interpenetration through linker conformation in the modulated synthesis of Sc metal‒organic frameworks
• Authors of publication: Marshall, Ross J.; Lennon, Ciaran T.; Tao, Andi; Senn, Hans M.; Wilson, Claire; Fairen-Jimenez, David; Forgan, Ross S.
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 3
• Pages of publication: 1181
• a: 17.1503 ± 0.0011 Å
• b: 17.1503 ± 0.0011 Å
• c: 25.6245 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6527.2 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.1905
• Residual factor for significantly intense reflections: 0.1183
• Weighted residual factors for significantly intense reflections: 0.3236
• Weighted residual factors for all reflections included in the refinement: 0.3783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No