Information card for entry 4311332

Structure parameters

• Chemical name: catena-[bis(mu!3$-adeninato-N3,N7,N9)(oxalato-O,O')diaqua dicopper(II)-water (1/7)]
• Formula: C24 H52 Cu4 N20 O26
• Calculated formula: C24 H24 Cu4 N20 O22
• Title of publication: An Unusual 3D Coordination Polymer Based on Bridging Interactions of the Nucleobase Adenine
• Authors of publication: Juan P. García-Terán; Oscar Castillo; Antonio Luque; Urko García-Couceiro; Pascual Román; Luis Lezama
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 4549 - 4551
• a: 31.35 ± 0.001 Å
• b: 31.35 ± 0.001 Å
• c: 14.285 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 12158.7 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1471
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No