Information card for entry 7227315

Structure parameters

• Formula: C72 H60 N24 O24 Y2
• Calculated formula: C72 H60 N24 O24 Y2
• SMILES: c1cccc(c2c(c3ccccn3)nc(c3ccccn3)c(c3ccccn3)n2)n1.N1(=[O][Y]23(O1)([OH2])([O]=N(=O)O2)([O]=N(=O)O3)([OH2])[OH2])=O.c1cccc(c2c(c3ccccn3)nc(c3ccccn3)c(c3ccccn3)n2)n1.c1cccc(c2c(c3ccccn3)nc(c3ccccn3)c(c3ccccn3)n2)n1.N1(=[O][Y]23([O]=N(=O)O2)([O]=N(=O)O3)(O1)([OH2])([OH2])[OH2])=O
• Title of publication: Porous hydrogen-bonded organic‒inorganic frameworks: weak interactions and selective dye filtration
• Authors of publication: Zeng, Cheng-Hui; Luo, Zhixun; Yao, Jiannian
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 4
• Pages of publication: 613
• a: 17.694 ± 0.003 Å
• b: 17.694 ± 0.003 Å
• c: 21.24 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5758.9 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.1401
• Residual factor for significantly intense reflections: 0.1039
• Weighted residual factors for significantly intense reflections: 0.2891
• Weighted residual factors for all reflections included in the refinement: 0.3213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No