Information card for entry 7050388

Structure parameters

• Formula: C21 H14 Cu3 N O12
• Calculated formula: C21 H14 Cu3 N O12
• Title of publication: Controlled hydrothermal synthesis of copper(II or I,II) coordination polymers via pH-dependent in-situ metal/ligand redox reactions
• Authors of publication: Yan-Zhen Zheng; Ming-Liang Tong; Xiao-Ming Chen
• Journal of publication: New J.Chem.(Nouv.J.Chim.)
• Year of publication: 2004
• a: 7.8681 ± 0.001 Å
• b: 10.356 ± 0.002 Å
• c: 13.39 ± 0.002 Å
• α: 85.431 ± 0.013°
• β: 78.603 ± 0.011°
• γ: 72.667 ± 0.014°
• Cell volume: 1020.7 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0468
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No