Information card for entry 4512546

Structure parameters

• Formula: C38 H36 Cu3 N12 O7
• Calculated formula: C38 H36 Cu3 N12 O7
• Title of publication: Interaction of the Trinuclear Triangular Secondary Building Unit [Cu3(μ3-OH)(μ-pz)3]2+with 4,4′-Bipyridine. Structural Characterizations of New Coordination Polymers and Hexanuclear CuIIClusters. 2°
• Authors of publication: Di Nicola, Corrado; Garau, Federica; Gazzano, Massimo; Lanza, Arianna; Monari, Magda; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 3
• Pages of publication: 1259
• a: 12.705 ± 0.006 Å
• b: 17.071 ± 0.008 Å
• c: 19.391 ± 0.01 Å
• α: 90°
• β: 98.032 ± 0.004°
• γ: 90°
• Cell volume: 4164 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2891
• Residual factor for significantly intense reflections: 0.1282
• Weighted residual factors for significantly intense reflections: 0.2165
• Weighted residual factors for all reflections included in the refinement: 0.2843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No