Information card for entry 7704726

Structure parameters

• Formula: C96 H84 Cu6 N16 O40
• Calculated formula: C96 H84 Cu6 N16 O40
• Title of publication: Adipato bridged novel hexanuclear Cu(ii) and polymeric Co(ii) coordination compounds involving cooperative supramolecular assemblies and encapsulated guest water clusters in a square grid host: antiproliferative evaluation and theoretical studies.
• Authors of publication: Nath, Hiren; Dutta, Debajit; Sharma, Pranay; Frontera, Antonio; Verma, Akalesh K.; Barceló-Oliver, Miquel; Devi, Mary; Bhattacharyya, Manjit K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 28
• Pages of publication: 9863 - 9881
• a: 12.317 ± 0.005 Å
• b: 14.999 ± 0.007 Å
• c: 17.394 ± 0.008 Å
• α: 79.894 ± 0.009°
• β: 84.538 ± 0.009°
• γ: 71.908 ± 0.009°
• Cell volume: 3004 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.1553
• Residual factor for significantly intense reflections: 0.0866
• Weighted residual factors for significantly intense reflections: 0.234
• Weighted residual factors for all reflections included in the refinement: 0.2998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No