Information card for entry 8101941

Structure parameters

• Chemical name: bis(diaqua-μ-(4,4'-bipyridine-κN)bis(pyridine-2,6-dicarboxylato-κ^3^O,N,O) dicopper(II)) monoaqua-μ-(4,4'-bipyridine-κN)bis(pyridine-2,6-dicarboxylato- κ^3^O,N,O)dicopper(II) hexahydrate, (Cu2(H2O)2(C10H8N2)(C7H3NO4)2)2 τimes Cu2(H2O)(C10H8N2)(C7H3NO4)2 τimes 6H2O
• Formula: C72 H64 Cu6 N12 O35
• Calculated formula: C24 H17.3333 Cu2 N4 O11.6667
• Title of publication: Crystal structure of bis(diaqua-μ-(4,4'-bipyridine-κN) bis-(pyridine-2,6-dicarboxylato-κ^3^O,N,O)dicopper(II)) monoaqua- μ-(4,4'-bipyridine-κN)bis(pyridine-2,6-dicarboxylato- κ^3^O,N,O)dicopper(II) hexahydrate, 2Cu~2~(H~2~O)~2~(C~10~H~8~N~2~) (C~7~H~3~NO~4~)~2~ · Cu~2~(H~2~O)(C~10~H~8~N~2~)(C~7~H~3~NO~4~)~2~ · 6H~2~O
• Authors of publication: Wen, Y.-H.; He, Y.-H.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 2
• Pages of publication: 142 - 144
• a: 10.5798 ± 0.0005 Å
• b: 10.7076 ± 0.0005 Å
• c: 18.6826 ± 0.0006 Å
• α: 84.413 ± 0.007°
• β: 86.541 ± 0.008°
• γ: 62.797 ± 0.004°
• Cell volume: 1873.11 ± 0.16 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0322
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No