Information card for entry 2214047

Structure parameters

• Chemical name: catena-Poly[[[tetra-μ~2~-aqua-heptaaqua(μ~2~-benzene-1,3,5-tricarboxylato)- μ~3~-hydroxido-trinickel(II)sodium]-μ~4~-benzene-1,3,5-tricarboxylato] sesquihydrate]
• Formula: C18 H32 Na Ni3 O25.5
• Calculated formula: C18 H32 Na Ni3 O25.5
• Title of publication: catena-Poly[[[tetra-μ~2~-aqua-heptaaqua(μ~2~-benzene-1,3,5-tricarboxylato)-μ~3~-hydroxido-trinickel(II)sodium]-μ~4~-benzene-1,3,5-tricarboxylato] sesquihydrate]
• Authors of publication: Yan, Ying; Li, Weihua; Hou, Baorong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1921 - m1922
• a: 18.842 ± 0.005 Å
• b: 14.557 ± 0.004 Å
• c: 21.343 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5854 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1506
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 0.889
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes