Information card for entry 4070547

Structure parameters

• Formula: C72 H71 Cu Fe I N3 P4
• Calculated formula: C70 H68 Cu Fe I N2 P4
• Title of publication: First Copper(I) Ferrocenyltetraphosphine Complexes: Possible Involvement in Sonogashira Cross-Coupling Reaction?
• Authors of publication: Beaupérin, Matthieu; Fayad, Elie; Amardeil, Régine; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Meunier, Philippe; Hierso, Jean-Cyrille
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 7
• Pages of publication: 1506
• a: 12.553 ± 0.005 Å
• b: 13.193 ± 0.005 Å
• c: 20.198 ± 0.005 Å
• α: 86.425 ± 0.005°
• β: 76.582 ± 0.005°
• γ: 79.054 ± 0.005°
• Cell volume: 3193.9 ± 1.9 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1459
• Residual factor for significantly intense reflections: 0.0796
• Weighted residual factors for significantly intense reflections: 0.1637
• Weighted residual factors for all reflections included in the refinement: 0.1989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No