Information card for entry 7040704

Structure parameters

• Formula: C74 H60 Cl4 Fe2 P4
• Calculated formula: C74 H60 Cl4 Fe2 P4
• Title of publication: Three and four coordinate Fe carbodiphosphorane complexes.
• Authors of publication: Pranckevicius, Conor; Iovan, Diana A.; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 42
• Pages of publication: 16820 - 16825
• a: 11.3479 ± 0.001 Å
• b: 16.1979 ± 0.0015 Å
• c: 17.6503 ± 0.0017 Å
• α: 79.585 ± 0.004°
• β: 88.787 ± 0.004°
• γ: 86.895 ± 0.004°
• Cell volume: 3186 ± 0.5 ų
• Cell temperature: 149 ± 2 K
• Ambient diffraction temperature: 149 ± 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: 0.036
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No