Information card for entry 2020999

Structure parameters

• Chemical name: Poly[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(μ-3-phenylprop-2-enoato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>)(μ-3-phenylprop-2-enoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')barium(I)]
• Formula: C30 H22 Ba N2 O4
• Calculated formula: C30 H22 Ba N2 O4
• SMILES: C(=O)(/C=C/c1ccccc1)[O-].[Ba]1[n]2cccc3ccc4ccc[n]1c4c23.[O-]C(=O)/C=C/c1ccccc1
• Title of publication: Two novel alkaline earth coordination polymers constructed from cinnamic acid and 1,10-phenanthroline: synthesis and structural and thermal properties
• Authors of publication: Bendjellal, Nassima; Trifa, Chahrazed; Bouacida, Sofiane; Boudaren, Chaouki; Boudraa, Mhamed; Merazig, Hocine
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 2
• a: 36.4542 ± 0.0007 Å
• b: 36.4542 ± 0.0007 Å
• c: 10.3535 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11915.5 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0868
• 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: Yes