Information card for entry 7226902

Structure parameters

• Formula: C42 H37 Er2 N4 O16
• Calculated formula: C42 H37 Er2 N4 O16
• Title of publication: Syntheses, structures, color tunable and white‒light emitting lanthanide metal‒organic framework materials constructed from conjugated 1, 1'-butadiynebenzene-3, 3', 5, 5'-tetracarboxylate ligand
• Authors of publication: Rong, Jiewei; Zhang, Wen-Wei; Bai, Junfeng
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 29.9258 ± 0.001 Å
• b: 21.0418 ± 0.0007 Å
• c: 19.4326 ± 0.0006 Å
• α: 90°
• β: 94 ± 0.001°
• γ: 90°
• Cell volume: 12206.8 ± 0.7 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: 0.0913
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.2122
• Weighted residual factors for all reflections included in the refinement: 0.2296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No