Information card for entry 1516862

Structure parameters

• Chemical name: Poly(u-(2-pyridinecarboxylato-N,O,O')-(N,N'-dimethylformamide-O)- aqua-(nitrato-O,O')calcium(II))
• Formula: C9 H13 Ca N3 O7
• Calculated formula: C9 H13 Ca N3 O7
• Title of publication: Synthesis, crystal structure and NMR investigation of novel Ca(II) complexes with heterocyclic alcohol, aldehyde and carboxylate ligands. Evaluation of Ca(II) and Cd(II) analogues for anticancer activity
• Authors of publication: Barbara Barszcz; Joanna Masternak; Maciej Hodorowicz; Ewa Matczak-Jon; Agnieszka Jablonska-Wawrzycka; Katarzyna Stadnicka; Malgorzata Zienkiewicz; Karolina Krolewska; Julia Kazmierczak-Baranska
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 399
• Pages of publication: 85 - 94
• a: 8.682 ± 0.0002 Å
• b: 9.564 ± 0.0002 Å
• c: 16.611 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1379.29 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0244
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0556
• Weighted residual factors for all reflections included in the refinement: 0.0564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No