Information card for entry 7061290

Structure parameters

• Formula: C28 H34 N8 O11 Zn2
• Calculated formula: C28 H34 N8 O11 Zn2
• Title of publication: Structural topologies involving energetically significant antiparallel π-stacking and unconventional N(nitrile)⋯π(fumarate) contacts in dinuclear Zn(ii) and polymeric Mn(ii) compounds: antiproliferative evaluation and theoretical studies
• Authors of publication: Sharma, Pranay; Baishya, Trishnajyoti; Gomila, Rosa M.; Frontera, Antonio; Barcelo-Oliver, Miquel; Verma, Akalesh K.; Das, Jumi; Bhattacharyya, Manjit K.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 11
• Pages of publication: 5296 - 5311
• a: 18.0928 ± 0.0006 Å
• b: 12.8348 ± 0.0004 Å
• c: 15.5435 ± 0.0005 Å
• α: 90°
• β: 112.282 ± 0.001°
• γ: 90°
• Cell volume: 3339.95 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No