Information card for entry 7046056

Structure parameters

• Formula: C28 H44 Li4
• Calculated formula: C28 H44 Li4
• Title of publication: Dispersion forces play a role in (Me₂IPr)Fe([double bond, length as m-dash]NAd)R₂ (Ad = adamantyl; R = ^neoPe, 1-nor) insertions and Fe-R bond dissociation enthalpies (BDEs).
• Authors of publication: Cundari, Thomas R.; Jacobs, Brian P.; MacMillan, Samantha N.; Wolczanski, Peter T.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 17
• Pages of publication: 6025 - 6030
• a: 10.3771 ± 0.0002 Å
• b: 10.1982 ± 0.0002 Å
• c: 11.7698 ± 0.0002 Å
• α: 90°
• β: 90.162 ± 0.002°
• γ: 90°
• Cell volume: 1245.57 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No