Information card for entry 7243752

Structure parameters

• Formula: C40 H48 Cu N6 O8
• Calculated formula: C40 H48 Cu N6 O8
• Title of publication: Experimental and theoretical studies of a pyridylvinyl(benzoate) based coordination polymer structure
• Authors of publication: Dezotti, Yuri; Barrionuevo, Manoel Victor Frutuoso; Silva, Ingrid Fernandes; Ribeiro, Marcos Antônio; Añez, Rafael; Stumpf, Humberto Osório; San-Miguel, Miguel Angel; Barros, Wdeson Pereira
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 46
• Pages of publication: 8139 - 8149
• a: 5.7835 ± 0.0005 Å
• b: 16.051 ± 0.0015 Å
• c: 21.5072 ± 0.0017 Å
• α: 90°
• β: 94.365 ± 0.002°
• γ: 90°
• Cell volume: 1990.7 ± 0.3 ų
• Cell temperature: 150.01 K
• Ambient diffraction temperature: 150.01 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No