Information card for entry 7236666

Structure parameters

• Formula: C18 H9 N3 O6 Sc
• Calculated formula: C18 H9 N3 O6 Sc
• 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: 8.8618 ± 0.0004 Å
• b: 48.6247 ± 0.0016 Å
• c: 14.5573 ± 0.0006 Å
• α: 90°
• β: 102.581 ± 0.004°
• γ: 90°
• Cell volume: 6122.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1053
• Residual factor for significantly intense reflections: 0.0899
• Weighted residual factors for significantly intense reflections: 0.2508
• Weighted residual factors for all reflections included in the refinement: 0.2704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• 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: No
• Has Fobs: No