Information card for entry 7227982

Structure parameters

• Formula: C26 H19 Er O8 S
• Calculated formula: C26 H19 Er O8 S
• Title of publication: A series of coordination networks constructed from the rigid ligand 4,4'-ethynylenedibenzoate: topological diversity, entanglement, supramolecular interactions and photophysical properties
• Authors of publication: Martins, Vinícius; Camargos-Resende, Jackson A. L.; Machado Ronconi, Célia
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 8.1941 ± 0.0005 Å
• b: 16.2658 ± 0.0009 Å
• c: 16.7088 ± 0.0009 Å
• α: 78.246 ± 0.002°
• β: 87.041 ± 0.002°
• γ: 84.491 ± 0.002°
• Cell volume: 2169.1 ± 0.2 ų
• Cell temperature: 287 ± 2 K
• Ambient diffraction temperature: 287 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No