Information card for entry 7046058

Structure parameters

• Formula: C20 H40 Fe P2
• Calculated formula: C19.988 H39.978 Fe P2
• 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: 18.2193 ± 0.0012 Å
• b: 14.0581 ± 0.0007 Å
• c: 9.3097 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2384.5 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• 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: 0.0467
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No