Information card for entry 1564499

Structure parameters

• Formula: C103 H77 B3 Cu4 F12 N8 O14
• Calculated formula: C103 H77 B3 Cu4 F12 N8 O14
• 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: 12.6653 ± 0.0012 Å
• b: 27.532 ± 0.003 Å
• c: 30.342 ± 0.003 Å
• α: 90°
• β: 114.672 ± 0.003°
• γ: 90°
• Cell volume: 9614.4 ± 1.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.106
• Residual factor for significantly intense reflections: 0.0912
• Weighted residual factors for significantly intense reflections: 0.2258
• Weighted residual factors for all reflections included in the refinement: 0.2354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No