Information card for entry 4512544

Structure parameters

• Formula: C50 H56 Cu6 N16 O12
• Calculated formula: C50 H56 Cu6 N16 O12
• 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: 11.062 ± 0.002 Å
• b: 12.636 ± 0.003 Å
• c: 12.816 ± 0.003 Å
• α: 86.064 ± 0.002°
• β: 71.413 ± 0.002°
• γ: 66.729 ± 0.002°
• Cell volume: 1556.5 ± 0.6 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: 0.091
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No