Information card for entry 4514331

Structure parameters

• Formula: C39 H29 N O12 Y2
• Calculated formula: C39 H29 N O12 Y2
• Title of publication: Reticular Chemistry and the Discovery of a New Family of Rare Earth (4, 8)-Connected Metal-Organic Frameworks with csq Topology Based on RE4(μ3-O)2(COO)8 Clusters.
• Authors of publication: Angeli, Giasemi K.; Sartsidou, Christina; Vlachaki, Styliani; Spanopoulos, Ioannis; Tsangarakis, Constantinos; Kourtellaris, Andreas; Klontzas, Emmanuel; Froudakis, George E.; Tasiopoulos, Anastasios; Trikalitis, Pantelis N.
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2017
• Journal volume: 9
• Journal issue: 51
• Pages of publication: 44560 - 44566
• a: 26.4725 ± 0.0014 Å
• b: 26.4725 ± 0.0014 Å
• c: 16.6116 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10081.7 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 191
• Hermann-Mauguin space group symbol: P 6/m m m
• Hall space group symbol: -P 6 2
• Residual factor for all reflections: 0.159
• Residual factor for significantly intense reflections: 0.1371
• Weighted residual factors for significantly intense reflections: 0.3982
• Weighted residual factors for all reflections included in the refinement: 0.4225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.514
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No