Information card for entry 4111467

Structure parameters

• Formula: C29 H26 Fe Ni2 Si
• Calculated formula: C29 H26 Fe Ni2 Si
• SMILES: [Fe]123456789[c]%10([cH]2[cH]3[cH]4[cH]1%10)[Si]([c]16[cH]7[cH]8[cH]9[cH]51)(C)[C]12[Ni]34567([Ni]89%10%111([cH]1[cH]8[cH]9[cH]%10[cH]%111)[C]=27c1ccccc1)[cH]1[cH]6[cH]5[cH]4[cH]31
• Title of publication: Highly Metallized Polymers: Synthesis, Characterization, and Lithographic Patterning of Polyferrocenylsilanes with Pendant Cobalt, Molybdenum, and Nickel Cluster Substituents
• Authors of publication: Wing Yan Chan; Scott B. Clendenning; Andrea Berenbaum; Alan J. Lough; Stephane Aouba; Harry E. Ruda; Ian Manners
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 1765 - 1772
• a: 14.277 ± 0.0002 Å
• b: 9.3405 ± 0.0004 Å
• c: 17.8241 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2376.92 ± 0.13 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No