Information card for entry 4129234

Structure parameters

• Common name: [PhBP3]CoSSiPh3
• Formula: C75 H68 B Co P3 S Si
• Calculated formula: C75 H68 B Co P3 S Si
• 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: 11.0416 ± 0.0008 Å
• b: 12.8426 ± 0.0009 Å
• c: 22.3975 ± 0.0015 Å
• α: 87.228 ± 0.001°
• β: 81.435 ± 0.001°
• γ: 73.024 ± 0.001°
• Cell volume: 3003.7 ± 0.4 ų
• Cell temperature: 96 K
• Ambient diffraction temperature: 96 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1081
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.216
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No