Information card for entry 4088187

Structure parameters

• Formula: C24 H33 F6 Fe P Ru
• Calculated formula: C24 H33 F6 Fe P Ru
• SMILES: [Ru]12345678([cH]9%10[c]%114([Fe]4%12%13%14%15%169([c]9([c]4([c]%12([c]%13([c]%149C)C)C)C)C)[c]1%10([c]2%15([c]3%11%16C)C)C)C)[cH]1[cH]5[cH]6[cH]7[cH]81.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Syntheses, Structures, and Mössbauer Effect Spectroscopy of Triple-Decker Complexes Incorporating Nonamethylferrocene
• Authors of publication: Schwartz, Andrew J.; Pike, Robert D.; Herber, Rolfe H.; Watson, Eric J.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 35
• Journal issue: 1
• Pages of publication: 62
• a: 9.3027 ± 0.0002 Å
• b: 27.37 ± 0.0007 Å
• c: 9.8177 ± 0.0003 Å
• α: 90°
• β: 100.74 ± 0.001°
• γ: 90°
• Cell volume: 2455.94 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0359
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No