Information card for entry 1564500

Structure parameters

• Common name: Cu2(NEA)4(CH3CN)4
• Formula: C56 H48 Cu2 N4 O8
• Calculated formula: C56 H48 Cu2 N4 O8
• Title of publication: Target design and synthesis of three naphthyl-functionalized Copper(II) coordination compounds for their photothermal properties
• Authors of publication: Liu, Kuan-Guan; Yao, Zi-Xuan; Li, Jing-Zhe; Yan, Xiao-Wei
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 508
• Pages of publication: 119608
• a: 12.1975 ± 0.0009 Å
• b: 12.4104 ± 0.0009 Å
• c: 17.8547 ± 0.0014 Å
• α: 70.223 ± 0.002°
• β: 88.709 ± 0.002°
• γ: 72.112 ± 0.002°
• Cell volume: 2410.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0535
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No