Information card for entry 7061747

Structure parameters

• Formula: C32 H40 Cl0 Cu2 N4 O20
• Calculated formula: C32 H40 Cu2 N4 O20
• 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: 7.4459 ± 0.0008 Å
• b: 9.9843 ± 0.0011 Å
• c: 13.9187 ± 0.0017 Å
• α: 94.635 ± 0.003°
• β: 102.728 ± 0.003°
• γ: 102.903 ± 0.003°
• Cell volume: 974.59 ± 0.19 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1189
• Residual factor for significantly intense reflections: 0.1006
• Weighted residual factors for significantly intense reflections: 0.2759
• Weighted residual factors for all reflections included in the refinement: 0.3011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.24
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No