Information card for entry 4129239

Structure parameters

• Common name: (Tp*)CoS(2,6-Me2-Ph)
• Formula: C23 H31 B Co N6 S
• Calculated formula: C23 H31 B Co N6 S
• Title of publication: Spin-state tuning at pseudotetrahedral d(7) ions: examining the structural and magnetic phenomena of four-coordinate [BP3]CoII-X systems.
• Authors of publication: Jenkins, David M.; Peters, Jonas C.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Journal issue: 19
• Pages of publication: 7148 - 7165
• a: 23.0774 ± 0.0018 Å
• b: 13.6982 ± 0.001 Å
• c: 7.9439 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2511.2 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.0737
• Goodness-of-fit parameter for all reflections included in the refinement: 2.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No