Information card for entry 7061467

Structure parameters

• Formula: C46 H56 Cu3 N16 Na2 O8
• Calculated formula: C46 H56 Cu3 N16 Na2 O8
• Title of publication: Insight into non-covalent interactions in a [Cu(N3)4]2− bridged hetero-pentanuclear copper(ii)/sodium complex with special emphasis on the strong CH⋯π[Cu(N3)4] interactions
• Authors of publication: Bhaumik, Prasanta Kumar; Gomila, Rosa M.; Frontera, Antonio; Benmansour, Samia; Gómez-García, Carlos J.; Chattopadhyay, Shouvik
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 23
• Pages of publication: 11286 - 11295
• a: 8.701 ± 0.001 Å
• b: 11.0102 ± 0.0012 Å
• c: 13.1693 ± 0.0014 Å
• α: 89.536 ± 0.003°
• β: 87.009 ± 0.003°
• γ: 84.316 ± 0.003°
• Cell volume: 1253.7 ± 0.2 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: 0.0284
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No