Information card for entry 7223898

Structure parameters

• Formula: C33 H43 N8 O13.17 Sm
• Calculated formula: C33 H43 N8 O13.1667 Sm
• Title of publication: Topological modulation of the porous structure of a coordination polymer constructed from a flexible building block via framework‒guest interaction during self-assembly
• Authors of publication: Masuya-Suzuki, Atsuko; Matsubara, Nozomi; Karashimada, Ryunosuke; Hoshino, Hitoshi; Iki, Nobuhiko
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 6
• Pages of publication: 872
• a: 25.917 ± 0.003 Å
• b: 25.917 ± 0.003 Å
• c: 30.915 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 17983 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No