Information card for entry 7047111

Structure parameters

• Formula: C20 H40 N4 O22 Zn2
• Calculated formula: C20 H40 N4 O22 Zn2
• Title of publication: A paraelectric-ferroelectric phase transition of an organically templated zinc oxalate coordination polymer.
• Authors of publication: Pasińska, K; Piecha-Bisiorek, A; Kinzhybalo, V.; Ciżman, A; Gągor, A; Pietraszko, A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 33
• Pages of publication: 11308 - 11312
• a: 9.386 ± 0.003 Å
• b: 16.648 ± 0.005 Å
• c: 9.816 ± 0.003 Å
• α: 90°
• β: 91.3 ± 0.03°
• γ: 90°
• Cell volume: 1533.4 ± 0.8 ų
• Cell temperature: 109.98 ± 0.11 K
• Ambient diffraction temperature: 109.98 ± 0.11 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0655
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No