Information card for entry 2018995

Structure parameters

• Chemical name: <i>catena</i>-Poly[tris(μ~3~-acetylacetonato)nickelate(II)sodium(I)]
• Formula: C15 H21 Na Ni O6
• Calculated formula: C15 H21 Na Ni O6
• SMILES: C1=C(C)O[Ni]23([O]=C1C)([O]=C(C=C(C)O3)C)OC(=CC(C)=[O]2)C.[Na+]
• Title of publication: <i>catena</i>-Poly[tris(μ~3~-acetylacetonato)nickelate(II)sodium(I)]
• Authors of publication: Baldo, Bianca; Cruz, Carlos; Venegas-Yazigi, Diego; Vega, Andres; Paredes-García, Verónica
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: 506 - 508
• a: 16.133 ± 0.002 Å
• b: 16.133 ± 0.002 Å
• c: 11.684 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2633.6 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes