Information card for entry 2019740

Structure parameters

• Chemical name: Poly[[aquadi-μ-cyanido-κ^4^<i>C</i>:<i>N</i>-hexacyanido-κ^6^<i>C</i>-(dimethylformamide-κ<i>O</i>)bis(3,4,7,8-tetramethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')terbium(III)molybdate(V)] 4.5-hydrate]
• Formula: C86 H100 Mo2 N26 O13 Tb2
• Calculated formula: C86 H100 Mo2 N26 O13 Tb2
• Title of publication: The synthesis, crystal structure and magnetic properties of a one-dimensional terbium(III)‒octacyanidomolybdate(V) assembly
• Authors of publication: Shen, Hong
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 12
• Pages of publication: 1169 - 1173
• a: 16.7649 ± 0.0014 Å
• b: 13.474 ± 0.002 Å
• c: 21.0984 ± 0.0012 Å
• α: 90°
• β: 96.671 ± 0.003°
• γ: 90°
• Cell volume: 4733.7 ± 0.9 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• 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: 0.0675
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.148
• Weighted residual factors for all reflections included in the refinement: 0.1488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes