Information card for entry 7227983

Structure parameters

• Formula: C21 H23 Cd O6.25 S2.5
• Calculated formula: C21 H23 Cd O6.25 S2.5
• 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: 32.978 ± 0.007 Å
• b: 7.9043 ± 0.0016 Å
• c: 19.738 ± 0.004 Å
• α: 90°
• β: 106.77 ± 0.03°
• γ: 90°
• Cell volume: 4926.2 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0441
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.0674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No