Information card for entry 2010168

Structure parameters

• Chemical name: Bis-([1,1']-ferrocenyldimethylsilyl)ferrocene
• Formula: C34 H38 Fe3 Si2
• Calculated formula: C34 H38 Fe3 Si2
• SMILES: [cH]12[cH]3[Fe]4567892([cH]1[c]7([cH]38)[Si]([c]12[cH]3[cH]7[cH]8[cH]1[Fe]1%10%11%122378[c]2([cH]1[cH]%10[cH]%11[cH]%122)[Si]([c]12[cH]3[cH]7[cH]8[cH]1[Fe]1%10%11%122378[cH]2[cH]1[cH]%10[cH]%11[cH]%122)(C)C)(C)C)[cH]1[cH]6[cH]5[cH]4[cH]91
• Title of publication: A linear oligo(ferrocenylsilane)
• Authors of publication: Lough, Alan J.; Manners, Ian; Rulkens, Ron
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 11
• Pages of publication: 1667 - 1669
• a: 10.071 ± 0.001 Å
• b: 14.937 ± 0.001 Å
• c: 11.173 ± 0.001 Å
• α: 90°
• β: 115.03 ± 0.01°
• γ: 90°
• Cell volume: 1522.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0964
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for all reflections: 0.1224
• Weighted residual factors for significantly intense reflections: 0.099
• Goodness-of-fit parameter for all reflections: 1.031
• Goodness-of-fit parameter for significantly intense reflections: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No