Information card for entry 4112929

Structure parameters

• Formula: C69 H65 Br2 Cl9 Fe Ni P4
• Calculated formula: C69 H65 Br2 Cl9 Fe Ni P4
• Title of publication: "Through-Space" Nuclear Spin-Spin JPP Coupling in Tetraphosphine Ferrocenyl Derivatives: A 31P NMR and X-ray Structure Correlation Study for Coordination Complexes
• Authors of publication: Jean-Cyrille Hierso; Aziz Fihri; Vladimir V. Ivanov; Bernard Hanquet; Nadine Pirio; Bruno Donnadieu; Bertrand Rebière; Régine Amardeil; Philippe Meunier
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 11077 - 11087
• a: 12.1064 ± 0.0002 Å
• b: 40.2368 ± 0.0007 Å
• c: 14.5029 ± 0.0003 Å
• α: 90°
• β: 93.32 ± 0.001°
• γ: 90°
• Cell volume: 7052.8 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1668
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No