Information card for entry 4304567

Structure parameters

• Formula: C17 H14 Cu1.5 N5 O8
• Calculated formula: C17 H12 Cu1.5 N5 O8
• Title of publication: Hydrothermal In Situ Synthesis and Characterization of Cu(II) Complexes
• Authors of publication: Danfeng Weng; Weihua Mu; Xiangjun Zheng; Decai Fang; Linpei Jin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 1249 - 1251
• a: 8.2515 ± 0.0017 Å
• b: 10.377 ± 0.002 Å
• c: 12.503 ± 0.002 Å
• α: 100.519 ± 0.003°
• β: 107.988 ± 0.003°
• γ: 106.49 ± 0.003°
• Cell volume: 932.5 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0812
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No