Information card for entry 7228813

Structure parameters

• Chemical name: anthracene-9,10-diylbil(methylene) dinicotinate
• Formula: C28 H20 N2 O4
• Calculated formula: C28 H20 N2 O4
• SMILES: c1c(C(=O)OCc2c3ccccc3c(COC(=O)c3cnccc3)c3ccccc23)cncc1
• Title of publication: Influence of Anions and Solvent Molecules on the Packing and Emission Spectra of Coordination Polymers Based on Silver ions and an Anthracene Derivative
• Authors of publication: Chen, Jing; Voutier, Noémie; Rajabi, Jamshid; Crochet, Aurelien; Bassani, Dario; Fromm, Katharina
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 4.82 ± 0.0005 Å
• b: 9.353 ± 0.001 Å
• c: 11.782 ± 0.0012 Å
• α: 99.589 ± 0.008°
• β: 99.411 ± 0.008°
• γ: 90.265 ± 0.008°
• Cell volume: 516.4 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0895
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No