Information card for entry 2019908

Structure parameters

• Chemical name: Poly[dibromidobis(μ~2~-<i>L</i>-proline)calcium(II)]
• Formula: C10 H18 Br2 Ca N2 O4
• Calculated formula: C10 H18 Br2 Ca N2 O4
• SMILES: [Br-].[Ca+2].[Br-].[O-]C(=[O])[C@@H]1CCC[NH2+]1.[O-]C(=[O])[C@@H]1CCC[NH2+]1
• Title of publication: One- and two-dimensional polymers from proline and calcium bromide
• Authors of publication: Lamberts, Kevin; Şerb, Mihaela-Diana; Englert, Ulli
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 4
• a: 20.598 ± 0.004 Å
• b: 7.679 ± 0.0014 Å
• c: 9.7974 ± 0.0017 Å
• α: 90°
• β: 95.553 ± 0.003°
• γ: 90°
• Cell volume: 1542.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes