Information card for entry 4071217

Structure parameters

• Formula: C36 H50 Hf Si4
• Calculated formula: C36 H50 Hf Si4
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Hf]167892345(C(=C(c2ccccc2)C(=C9[Si](C)(C)[Si](C)(C)C)c2ccccc2)[Si](C)(C)[Si](C)(C)C)[cH]2[cH]8[cH]7[cH]6[cH]12
• Title of publication: Group 4 Metallocene Complexes of Tris(trimethylsilyl)silylacetylene and Related Alkynes
• Authors of publication: Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 11
• Pages of publication: 2570
• a: 20.769 ± 0.004 Å
• b: 11.323 ± 0.002 Å
• c: 15.923 ± 0.003 Å
• α: 90°
• β: 103.04 ± 0.03°
• γ: 90°
• Cell volume: 3648 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0176
• Residual factor for significantly intense reflections: 0.0167
• Weighted residual factors for significantly intense reflections: 0.0415
• Weighted residual factors for all reflections included in the refinement: 0.0419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No