Information card for entry 4334098

Structure parameters

• Formula: C46 H Cu4 K2 N4 O20
• Calculated formula: C30.6667 H31.3333 Cu2.66667 K2 N2.66667 O34.3333
• Title of publication: Synthesis, Structure, Spectroscopic Characterization, and Protein Binding Affinity of New Water-Soluble Hetero- and Homometallic Tetranuclear [CuII2ZnII2] and [CuII4] Clusters
• Authors of publication: Ayan Patra; Tamal K. Sen; Atanu Ghorai; Ghezai T. Musie; Swadhin K. Mandal; Utpal Ghosh; Manindranath Bera
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 2880 - 2890
• a: 13.9984 ± 0.0009 Å
• b: 17.3764 ± 0.0012 Å
• c: 18.428 ± 0.0012 Å
• α: 109.399 ± 0.004°
• β: 103.984 ± 0.004°
• γ: 99.382 ± 0.004°
• Cell volume: 3955.1 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1217
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1949
• Weighted residual factors for all reflections included in the refinement: 0.2441
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No