Information card for entry 2208691

Structure parameters

• Chemical name: Hexaaqua-1κ^3^O,3κ^3^O-tri-μ-cyano-1:2κ^2^N:C;2:3κ^2^C:N;3:4κ^2^N:C- nonacyano-2κ^4^C,4κ^5^C-pentakis(N,N-dimethylacetamide)-1κ^3^O,3κ^2^O- diiron(III)diytterbium(III) dihydrate
• Formula: C32 H61 Fe2 N17 O13 Yb2
• Calculated formula: C32 H61 Fe2 N17 O13 Yb2
• Title of publication: Hexaaqua-1κ^3^<i>O</i>,3κ^3^<i>O</i>-tri-μ-cyano-1:2κ^2^<i>N</i>:<i>C</i>;2:3κ^2^<i>C</i>:<i>N</i>;3:4κ^2^<i>N</i>:<i>C</i>-nonacyano-2κ^4^<i>C</i>,4κ^5^<i>C</i>-pentakis(<i>N</i>,<i>N</i>-dimethylacetamide)-1κ^3^<i>O</i>,3κ^2^<i>O</i>-diiron(III)diytterbium(III) dihydrate
• Authors of publication: Svendsen, Helle; Overgaard, Jacob; Chevalier, Marie A.; Iversen, Bo B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: m793 - m795
• a: 25.2387 ± 0.0009 Å
• b: 14.4943 ± 0.0006 Å
• c: 14.2058 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5196.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0491
• Weighted residual factors for all reflections included in the refinement: 0.0538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No