Information card for entry 7060736

Structure parameters

• Formula: C43 H60 N12 O14 Zn3
• Calculated formula: C43 H60 N12 O14 Zn3
• Title of publication: Supramolecular assemblies involving biologically relevant antiparallel π-stacking and unconventional solvent driven structural topology in maleato and fumarato bridged Zn(ii) coordination polymers: antiproliferative evaluation and theoretical studies
• Authors of publication: Das, Amal; Sharma, Pranay; Frontera, Antonio; Barcelo-Oliver, Miquel; Verma, Akalesh K.; Ahmed, Ruksana Sultana; Hussain, Sahid; Bhattacharyya, Manjit K.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 29
• Pages of publication: 13040 - 13055
• a: 13.707 ± 0.0008 Å
• b: 28.9106 ± 0.0018 Å
• c: 13.0438 ± 0.0008 Å
• α: 90°
• β: 91.887 ± 0.002°
• γ: 90°
• Cell volume: 5166.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0776
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.1941
• Weighted residual factors for all reflections included in the refinement: 0.1944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.372
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No