Information card for entry 7060562

Structure parameters

• Formula: C20 H22 Cu N6 O11
• Calculated formula: C20 H22 Cu N6 O11
• Title of publication: Biologically relevant unusual cooperative assemblies and fascinating infinite crown-like supramolecular nitrate‒water hosts involving guest complex cations in bipyridine and phenanthroline-based Cu(ii) coordination compounds: antiproliferative evaluation and theoretical studies
• Authors of publication: Sharma, Pranay; Nath, Hiren; Frontera, Antonio; Barcelo-Oliver, Miquel; Verma, Akalesh K.; Hussain, Sahid; Bhattacharyya, Manjit K.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 18
• Pages of publication: 8269 - 8282
• a: 10.9342 ± 0.0005 Å
• b: 16.0448 ± 0.0009 Å
• c: 14.4614 ± 0.0007 Å
• α: 90°
• β: 101.911 ± 0.003°
• γ: 90°
• Cell volume: 2482.4 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0617
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1521
• Weighted residual factors for all reflections included in the refinement: 0.1601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No