Information card for entry 2012990

Structure parameters

• Chemical name: diaqua-μ~2~-2,2'-bipyrimidinyl-κ^4^N^1^,N^1'^:N^3^,N^3'^)-di- μ~3~-hydroxy-bis(μ~5~-benzene-1,3,5-tricarboxylato- κ^5^O^1^:O^2^:O^3^:O^3^:O^5^)tetracobalt(II) dihydrate
• Formula: C26 H22 Co4 N4 O18
• Calculated formula: C26 H22 Co4 N4 O18
• Title of publication: Polymeric diaqua(μ~2~-2,2'-bipyrimidinyl-κ^4^<i>N</i>^1^,<i>N</i>^1'^:<i>N</i>^3^,<i>N</i>^3'^)-di-μ~3~-hydroxy-bis(μ~5~-benzene-1,3,5-tricarboxylato-κ^5^<i>O</i>^1^:<i>O</i>^2^:<i>O</i>^3^:<i>O</i>^3^:<i>O</i>^5^)tetracobalt(II) dihydrate
• Authors of publication: Plater, M. John; Foreman, Mark R. St J.; Howie, R. Alan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 10
• Pages of publication: m487 - m489
• a: 8.7476 ± 0.0004 Å
• b: 15.3691 ± 0.0006 Å
• c: 11.0972 ± 0.0004 Å
• α: 90°
• β: 97.759 ± 0.001°
• γ: 90°
• Cell volume: 1478.28 ± 0.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes