Information card for entry 2218852

Structure parameters

• Chemical name: Bis(N,N-diethyldithiocarbamato)(1,10-phenanthroline)cobalt(III) tetrafluoridoborate
• Formula: C22 H28 B Co F4 N4 S4
• Calculated formula: C22 H28 B Co F4 N4 S4
• SMILES: [Co]123(SC(=[S]1)N(CC)CC)(SC(=[S]2)N(CC)CC)[n]1cccc2ccc4ccc[n]3c4c12.[B](F)(F)(F)[F-]
• Title of publication: Bis(<i>N</i>,<i>N</i>-diethyldithiocarbamato)(1,10-phenanthroline)cobalt(III) tetrafluoridoborate
• Authors of publication: Boyd, Peter D. W.; Rickard, Clifton E. F.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: m917 - m918
• a: 8.0064 ± 0.0001 Å
• b: 16.3421 ± 0.0003 Å
• c: 21.0927 ± 0.0003 Å
• α: 90°
• β: 95.013 ± 0.001°
• γ: 90°
• Cell volume: 2749.24 ± 0.07 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 7
• 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: 0.073
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes