Information card for entry 7059909

Structure parameters

• Formula: C39 H30.6 N2 O4.3 Zn
• Calculated formula: C39 H30.6 N2 O4.3 Zn
• Title of publication: Stabilization of cyclic water tetramers and dimers in the crystal host of 2D coordination networks: electrical conductivity and dielectric studies
• Authors of publication: Dutta, Basudeb; Ghosh, Sourav Ranjan; Ray, Apurba; Jana, Srikanta; Sinha, Chittaranjan; Das, Sachindranath; Jana, Atish Dipankar; Mir, Mohammad Hedayetullah
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 37
• Pages of publication: 15857 - 15870
• a: 15.7596 ± 0.0017 Å
• b: 16.9112 ± 0.0019 Å
• c: 12.5653 ± 0.0014 Å
• α: 90°
• β: 109.196 ± 0.003°
• γ: 90°
• Cell volume: 3162.6 ± 0.6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0902
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1535
• Weighted residual factors for all reflections included in the refinement: 0.1672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No