Information card for entry 7050389

Structure parameters

• Formula: C31 H21 Cu2 N3 O8
• Calculated formula: C20.6667 H14 Cu1.33333 N2 O5.33333
• 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: 10.7251 ± 0.0012 Å
• b: 10.8401 ± 0.0013 Å
• c: 14.7967 ± 0.0017 Å
• α: 91.429 ± 0.002°
• β: 94.101 ± 0.002°
• γ: 118.737 ± 0.002°
• Cell volume: 1501.1 ± 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: 0.1484
• Residual factor for significantly intense reflections: 0.0858
• Weighted residual factors for significantly intense reflections: 0.2103
• Weighted residual factors for all reflections included in the refinement: 0.2386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No