Information card for entry 7221868

Structure parameters

• Formula: C40 H30 Cd O8
• Calculated formula: C40 H30 Cd O8
• SMILES: C1(=[O][Cd]2(O1)([O]=C(CCC(=O)c1ccc3c4c1ccc1c4c(cc3)ccc1)O2)([OH2])[OH2])CCC(=O)c1ccc2c3c1ccc1cccc(c31)cc2
• Title of publication: Rational design of a pyrene based luminescent porous supramolecular framework: excimer emission and energy transfer
• Authors of publication: Prasad, Komal; Haldar, Ritesh; Maji, Tapas Kumar
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 53.31 ± 0.005 Å
• b: 5.4433 ± 0.0005 Å
• c: 11.0524 ± 0.0009 Å
• α: 90°
• β: 97.6 ± 0.006°
• γ: 90°
• Cell volume: 3179 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0954
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1828
• Weighted residual factors for all reflections included in the refinement: 0.217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No