Information card for entry 4314531

Structure parameters

• Formula: C114 H108 B Co2 F8 Fe N6 O2 P8
• Calculated formula: C114 H96 B1.748 Co2 F6.992 Fe N6 O4 P8
• Title of publication: Cyanide Lability and Linkage Isomerism of Hexacyanochromate(III) Induced by the Co(II) Ion
• Authors of publication: Carolina Avendano; Ferdi Karadas; Matthew Hilfiger; Michael Shatruk; Kim R. Dunbar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 583 - 594
• a: 12.718 ± 0.004 Å
• b: 21.726 ± 0.007 Å
• c: 19.36 ± 0.006 Å
• α: 90°
• β: 91.837 ± 0.005°
• γ: 90°
• Cell volume: 5347 ± 3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 9
• 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: 0.1714
• Residual factor for significantly intense reflections: 0.0916
• Weighted residual factors for significantly intense reflections: 0.1942
• Weighted residual factors for all reflections included in the refinement: 0.2307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No