Information card for entry 2009474

Structure parameters

• Common name: 1,1'-Ferrocenediylbis(methyltriphenylphosphonium iodide) dichloromethane solvate (1/1)
• Chemical name: 1,1'-Ferrocenediylbis(methyltriphenylphosphonium iodide) dichloromethane solvate (1/1)
• Formula: C49 H44 Cl2 Fe I2 P2
• Calculated formula: C49 H43.5 Cl2 Fe I2 P2
• Title of publication: C‒H^{···^}I^{-^} interactions in ferrocene derivatives: structures of (Ferrocenylmethyl)triphenylphosphonium iodide and 1,1'-ferrocenediylbis(methyltriphenylphosphonium iodide) dichloromethane solvate (1/1)
• Authors of publication: Glidewell, Christopher; Zakaria, Choudhury M.; Ferguson, George; Gallagher, John F.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 2
• Pages of publication: 233 - 238
• a: 10.2799 ± 0.0008 Å
• b: 13.0137 ± 0.0007 Å
• c: 19.3758 ± 0.0011 Å
• α: 105.137 ± 0.005°
• β: 98.049 ± 0.006°
• γ: 107.414 ± 0.006°
• Cell volume: 2319.5 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.067
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for all reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.041
• Goodness-of-fit parameter for significantly intense reflections: 1.31
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No