Information card for entry 2020998

Structure parameters

• Chemical name: Poly[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(μ-3-phenylprop-2-enoato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>)calcium(I)]
• Formula: C30 H22 Ca N2 O4
• Calculated formula: C30 H22 Ca N2 O4
• SMILES: [Ca]1234([n]5c6c7[n]1cccc7ccc6ccc5)(OC(=[O]2)/C=C/c1ccccc1)O=C(/C=C/c1ccccc1)[O]3[Ca]123([n]5c6c7[n]1cccc7ccc6ccc5)([O]=C([O]24)/C=C/c1ccccc1)O=C(/C=C/c1ccccc1)O3
• 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: 27.0933 ± 0.0011 Å
• b: 11.2988 ± 0.0004 Å
• c: 7.8989 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2418.03 ± 0.16 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.092
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes