Information card for entry 7061748

Structure parameters

• Formula: C64 H44 Mn2 N8 O10
• Calculated formula: C64 H44 Mn2 N8 O10
• Title of publication: Fumarato and phthalato bridged dinuclear metal–organic Cu(ii) and Mn(ii) compounds involving infinite fumarate–water assemblies and unusual structure-guiding H-bonded synthons: antiproliferative evaluation and theoretical studies
• Authors of publication: Baishya, Trishnajyoti; Sharma, Pranay; Gomila, Rosa M.; Frontera, Antonio; Barcelo-Oliver, Miquel; Verma, Akalesh K.; Bhattacharyya, Manjit K.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 37
• Pages of publication: 17817 - 17833
• a: 10.7061 ± 0.0006 Å
• b: 11.7741 ± 0.0006 Å
• c: 11.9924 ± 0.0005 Å
• α: 71.18 ± 0.003°
• β: 72.654 ± 0.003°
• γ: 84.583 ± 0.004°
• Cell volume: 1365.8 ± 0.12 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No