Information card for entry 4304796

Structure parameters

• Formula: C22 H52 Fe N P2 Si2
• Calculated formula: C22 H52 Fe N P2 Si2
• Title of publication: Influence of the d-Electron Count on CO Binding by Three-Coordinate [(tBu2PCH2SiMe2)2N]Fe, -Co, and -Ni
• Authors of publication: Michael J. Ingleson; Benjamin C. Fullmer; Drew T. Buschhorn; Hongjun Fan; Maren Pink; John C. Huffman; Kenneth G. Caulton
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 407 - 409
• a: 11.174 ± 0.003 Å
• b: 15.821 ± 0.005 Å
• c: 16.895 ± 0.005 Å
• α: 90°
• β: 99.283 ± 0.009°
• γ: 90°
• Cell volume: 2947.6 ± 1.5 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• 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: 0.0597
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No