Information card for entry 1565632

Structure parameters

• Formula: C69 H56 N8 O17 Zn2
• Calculated formula: C69 H56 N8 O17 Zn2
• Title of publication: Benzoate substituents effects on the structure of Zn(II) complexes and 1D 4,4′-bipyridine derived coordination polymers
• Authors of publication: Sánchez-Férez, Francisco; Pou, Roger; Bayés-García, Laura; Font-Bardia, Mercè; Pons, Josefina; Ayllón, José A.
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 500
• Pages of publication: 119218
• a: 10.6316 ± 0.0006 Å
• b: 11.6986 ± 0.0007 Å
• c: 14.0895 ± 0.0008 Å
• α: 96.653 ± 0.002°
• β: 102.794 ± 0.002°
• γ: 111.997 ± 0.002°
• Cell volume: 1545.7 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No