Information card for entry 7231207

Structure parameters

• Formula: C54 H38 Mg2 N2 O10
• Calculated formula: C54 H38 Mg2 N2 O10
• 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: 16.59874 ± 0.00019 Å
• b: 7.14697 ± 0.00012 Å
• c: 50.2201 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5957.65 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.0819
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.2424
• Weighted residual factors for all reflections included in the refinement: 0.2474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No