Information card for entry 4077582

Structure parameters

• Formula: C30 H21 Fe2 O6 P
• Calculated formula: C30 H21 Fe2 O6 P
• SMILES: [Fe]123([Fe]4([C]3(=[C]2(C1C(=C)[P]4(c1ccccc1)c1ccccc1)C)c1ccccc1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Reactions of Alkynes with [Fe2(CO)6(μ-PPh2){μ-η1:η2α,β-(H)CαCβCγH2}]: Formation of Diphenylvinylphosphine-Functionalized Vinyl Carbenes via Carbon−Carbon and Carbon−Phosphorus Bond Formation and Hydrogen Migration⊥
• Authors of publication: Doherty, Simon; Hogarth, Graeme; Waugh, Mark; Clegg, William; Elsegood, Mark R. J.
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 22
• Pages of publication: 4557
• a: 12.5509 ± 0.0006 Å
• b: 15.3144 ± 0.0008 Å
• c: 15.9483 ± 0.0008 Å
• α: 109.143 ± 0.002°
• β: 99.88 ± 0.002°
• γ: 104.577 ± 0.002°
• Cell volume: 2692.3 ± 0.2 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No