Information card for entry 2231340

Structure parameters

• Chemical name: Triaqua-1κ^3^<i>O</i>-μ-cyanido-1:2κ^2^<i>N</i>:<i>C</i>-pentacyanido- 2κ^5^<i>C</i>-tetrakis(dimethylformamide-1κ<i>O</i>)-1-holmium(III)-2- iron(III) monohydrate
• Formula: C18 H36 Fe0.98 Ho N10 O8 Ru0.02
• Calculated formula: C18 H36 Fe0.98 Ho N10 O8 Ru0.02
• Title of publication: Triaqua-1κ^3^<i>O</i>-μ-cyanido-1:2κ^2^<i>N</i>:<i>C</i>-pentacyanido-2κ^5^<i>C</i>-tetrakis(dimethylformamide-1κ<i>O</i>)-1-holmium(III)-2-iron(III) monohydrate
• Authors of publication: Li, Hong-Fang; Zhao, Qi-Hua; Xie, Ming-Jin; Yang, Fan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: m1094 - m1095
• a: 17.6587 ± 0.0015 Å
• b: 8.9235 ± 0.0008 Å
• c: 25.275 ± 0.0016 Å
• α: 90°
• β: 128.208 ± 0.004°
• γ: 90°
• Cell volume: 3129.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes