Information card for entry 4323484

Structure parameters

• Chemical name: Tris Benzyltrimethyl ammonium thallium tris Iron Tetracarbonylate
• Formula: C42 H48 Fe3 N3 O12 Tl
• Calculated formula: C42 H48 Fe3 N3 O12 Tl
• Title of publication: Solution Dynamics of Thallium-Metal Carbonyl Compounds Using 205Tl NMR Spectroscopy
• Authors of publication: Jaap W. van Hal; Lawrence B. Alemany; Kenton H. Whitmire
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 3152 - 3159
• a: 18.29 ± 0.003 Å
• b: 18.29 ± 0.003 Å
• c: 8.479 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2456.4 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for all reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.0494
• Goodness-of-fit parameter for all reflections: 1.009
• Goodness-of-fit parameter for significantly intense reflections: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No