Information card for entry 4078438

Structure parameters

• Formula: C47 H98 K O7.5 Si8 Zr
• Calculated formula: C47.161 H98 K O7.613 Si8 Zr
• Title of publication: Synthesis of Oligosilanyl Compounds of Group 4 Metallocenes with the Oxidation State +3.
• Authors of publication: Arp, Henning; Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith; Rasmussen, Kenneth; Zark, Patrick; Müller, Thomas
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 11
• Pages of publication: 4309 - 4319
• a: 22.15 ± 0.004 Å
• b: 15.819 ± 0.003 Å
• c: 18.277 ± 0.004 Å
• α: 90°
• β: 96.07 ± 0.03°
• γ: 90°
• Cell volume: 6368 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0678
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No