Information card for entry 4311506

Structure parameters

• Chemical name: catena-[aqua(mu-oxalato)purinecopper(II)]
• Formula: C7 H6 Cu N4 O5
• Calculated formula: C7 H6 Cu N4 O5
• Title of publication: One-Dimensional Oxalato-Bridged Cu(II), Co(II), and Zn(II) Complexes with Purine and Adenine as Terminal Ligands
• Authors of publication: Juan P. García-Terán; Oscar Castillo; Antonio Luque; Urko García-Couceiro; Pascual Román; Francesc Lloret
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 5761 - 5770
• a: 7.277 ± 0.002 Å
• b: 15.929 ± 0.003 Å
• c: 8.263 ± 0.002 Å
• α: 90°
• β: 106.06 ± 0.03°
• γ: 90°
• Cell volume: 920.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No