Information card for entry 7231205

Structure parameters

• Formula: C17 H14 N O3
• Calculated formula: C17 H14 N O3
• Title of publication: An expanded MIL-53-type coordination polymer with a reactive pendant ligand
• Authors of publication: Kunicki, Hannah; Chamberlain, Thomas W.; Clarkson, Guy J.; Kashtiban, Reza J.; Hooper, Joseph E.; Dawson, Daniel M.; Ashbrook, Sharon E.; Walton, Richard I.
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 31
• Pages of publication: 4355
• a: 7.43953 ± 0.00014 Å
• b: 20.7625 ± 0.0004 Å
• c: 8.8754 ± 0.00015 Å
• α: 90°
• β: 102.766 ± 0.0018°
• γ: 90°
• Cell volume: 1337.03 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No