Information card for entry 7210886

Structure parameters

• Formula: C56 H60 N6 O27 Zn4
• Calculated formula: C56 H36 N6 O27 Zn4
• Title of publication: Ancillary ligand-assisted structural diversity of six new MOFs with 5-(4-carboxybenzoylamino)-isophthalic acid: syntheses, crystal structures and photoluminescence properties
• Authors of publication: Zhao, Wen; Han, Jie; Tian, Ge; Zhao, Xiao-Li
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 37
• Pages of publication: 7522
• a: 28.157 ± 0.002 Å
• b: 16.659 ± 0.0012 Å
• c: 14.5584 ± 0.0011 Å
• α: 90°
• β: 93.284 ± 0.003°
• γ: 90°
• Cell volume: 6817.7 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0723
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No