Information card for entry 4071216

Structure parameters

• Formula: C42 H56 Si4 Zr
• Calculated formula: C42 H56 Si4 Zr
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Zr]167892345(C(=C(C(=C1[Si](C)(C)[Si](C)(C)C)c1ccccc1)c1ccccc1)[Si](C)(C)[Si](C)(C)C)[cH]1[cH]6[cH]7[cH]8[cH]91.c1ccccc1
• 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: 19.608 ± 0.004 Å
• b: 11.116 ± 0.002 Å
• c: 19.047 ± 0.004 Å
• α: 90°
• β: 97.32 ± 0.03°
• γ: 90°
• Cell volume: 4117.7 ± 1.4 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: 0.1082
• Residual factor for significantly intense reflections: 0.0914
• Weighted residual factors for significantly intense reflections: 0.1708
• Weighted residual factors for all reflections included in the refinement: 0.1776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.289
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No