Information card for entry 7022746

Structure parameters

• Formula: C42 H44 Cu2 N6 O13
• Calculated formula: C42 H44 Cu2 N6 O13
• Title of publication: Copper(II) assembling with bis(2-pyridylcarbonyl)amidate and N,N'-2,2-phenylenebis(oxamate).
• Authors of publication: Simões, Tatiana R G; Mambrini, Raquel V.; Reis, Daniella O.; Marinho, Maria V.; Ribeiro, Marcos A.; Pinheiro, Carlos B.; Ferrando-Soria, Jesús; Déniz, Mariadel; Ruiz-Pérez, Catalina; Cangussu, Danielle; Stumpf, Humberto O.; Lloret, Francesc; Julve, Miguel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 16
• Pages of publication: 5778 - 5795
• a: 28.5694 ± 0.0007 Å
• b: 10.2366 ± 0.0001 Å
• c: 20.1856 ± 0.0005 Å
• α: 90°
• β: 134.242 ± 0.004°
• γ: 90°
• Cell volume: 4229.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No