Information card for entry 7210885

Structure parameters

• Formula: C80 H62 Cd3 N10 O17
• Calculated formula: C80 H56 Cd3 N10 O17
• 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: 24.1977 ± 0.0017 Å
• b: 13.9528 ± 0.001 Å
• c: 25.1006 ± 0.0018 Å
• α: 90°
• β: 96.677 ± 0.002°
• γ: 90°
• Cell volume: 8417.1 ± 1 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: 0.0795
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.1775
• Weighted residual factors for all reflections included in the refinement: 0.1817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No