Information card for entry 7217241

Structure parameters

• Common name: {[Zn2(bpta)2(adc)2].2H2O}n
• Formula: C40 H46 N6 O10 Zn2
• Calculated formula: C40 H46 N6 O10 Zn2
• Title of publication: Non-hydrothermal synthesis, structural characterization and thermochemistry of water soluble and neutral coordination polymers of Zn(II) and Cd(II): precursors for the submicron-sized crystalline ZnO/CdO
• Authors of publication: Khullar, Sadhika; Mandal, Sanjay
• Journal of publication: RSC Advances
• Year of publication: 2014
• a: 13.33 ± 0.002 Å
• b: 13.669 ± 0.003 Å
• c: 22.655 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4127.9 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0952
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No