Information card for entry 4114154

Structure parameters

• Formula: C72 H65 B Co O P3 Si
• Calculated formula: C72 H65 B Co O P3 Si
• Title of publication: Solution and Solid-State Spin-Crossover Behavior in a Pseudotetrahedral d7 Ion
• Authors of publication: David M. Jenkins; Jonas C. Peters
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 11162 - 11163
• a: 13.1013 ± 0.0014 Å
• b: 14.4428 ± 0.0016 Å
• c: 16.9894 ± 0.0019 Å
• α: 77.984 ± 0.002°
• β: 67.962 ± 0.001°
• γ: 89.536 ± 0.002°
• Cell volume: 2905.8 ± 0.6 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 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: 0.0456
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.486
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No