Information card for entry 2237551

Structure parameters

• Chemical name: Tris(3,4,7,8-tetramethyl-1,10-phenanthrolin-1-ium) hexacyanidocobaltate(III) pentahydrate
• Formula: C54 H61 Co N12 O5
• Calculated formula: C54 H61 Co N12 O5
• Title of publication: Tris(3,4,7,8-tetramethyl-1,10-phenanthrolin-1-ium) hexacyanidocobaltate(III) pentahydrate
• Authors of publication: Hu, Ai-Yun; Yu, Deng-Yong; Yuan, Ai-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: m142
• a: 12.836 ± 0.002 Å
• b: 14.458 ± 0.002 Å
• c: 16.645 ± 0.003 Å
• α: 97.216 ± 0.002°
• β: 110.934 ± 0.002°
• γ: 112.179 ± 0.002°
• Cell volume: 2547.6 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1029
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1384
• Weighted residual factors for all reflections included in the refinement: 0.1545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes