Information card for entry 2013911

Structure parameters

• Chemical name: Poly[[diaquatris(μ~6~-benzene-1,2,4,5-tetracarboxylato)tris(μ~2~-4,4'- bipyridine)hexacopper(II)] dihydrate]
• Formula: C60 H38 Cu6 N6 O28
• Calculated formula: C60 H38 Cu6 N6 O28
• Title of publication: Poly[[diaquatris(μ~6~-benzene-1,2,4,5-tetracarboxylato)tris(μ~2~-4,4'-bipyridine)hexacopper(II)] dihydrate]
• Authors of publication: Yang, E.; Zhang, Jian; Wen, Yi-Hang; Chen, Yu-Biao; Kang, Yao; Li, Zhao-Ji; Yao, Yuan-Gen
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: m280 - m282
• a: 10.2545 ± 0.0007 Å
• b: 10.8207 ± 0.0008 Å
• c: 13.7264 ± 0.001 Å
• α: 91.305 ± 0.001°
• β: 90.461 ± 0.002°
• γ: 112.655 ± 0.002°
• Cell volume: 1404.97 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1344
• Weighted residual factors for all reflections included in the refinement: 0.162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes