Information card for entry 7127994

Structure parameters

• Formula: C33 H53 Fe N4 O2 P
• Calculated formula: C33 H53 Fe N4 O2 P
• SMILES: [Fe]1234([cH]5[c]1([c]3([cH]2[c]45C(C)(C)C)C(C)(C)C)C(C)(C)C)(C#[O])C#[O].P(=C1N(C(=C(N1C)C)C)C)c1n(c(c([n+]1C)C)C)C
• Title of publication: Reactivity of P₄ butterfly complexes towards NHCs - generation of a metal-bridged P₂ dumbbell complex.
• Authors of publication: Reichl, Stephan; Grünbauer, Rebecca; Balázs, Gábor; Scheer, Manfred
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 27
• Pages of publication: 3383 - 3386
• a: 10.8194 ± 0.0004 Å
• b: 12.5965 ± 0.0006 Å
• c: 15.1388 ± 0.0006 Å
• α: 106.563 ± 0.004°
• β: 98.875 ± 0.003°
• γ: 113.707 ± 0.004°
• Cell volume: 1723.64 ± 0.16 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No