Information card for entry 4081290

Structure parameters

• Formula: C17 H21 Fe P Si
• Calculated formula: C17 H21 Fe P Si
• SMILES: [Fe]12345678(P9[c]%101[c]2([C]3(=[C]49[Si](C)(C)C)C)cccc%10)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Synthesis and Characterization of Benzo[b]phosphaferrocene Derivatives
• Authors of publication: Ogasawara, Masamichi; Arae, Sachie; Watanabe, Susumu; Subbarayan, Velusamy; Sato, Hiroyasu; Takahashi, Tamotsu
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 17
• Pages of publication: 4997
• a: 8.274 ± 0.002 Å
• b: 11.667 ± 0.003 Å
• c: 16.84 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1625.6 ± 0.7 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for all reflections included in the refinement: 0.0762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No