Information card for entry 4078439

Structure parameters

• Formula: C38 H82 Hf K O6 Si8
• Calculated formula: C38 H82 Hf K O6 Si8
• SMILES: [Hf]123456789([Si]([Si]([Si]([Si]1([Si](C)(C)C)[Si](C)(C)C)(C)C)(C)C)([Si](C)(C)C)[Si](C)(C)C)([cH]1[cH]2[cH]3[cH]4[cH]51)[cH]1[cH]9[cH]8[cH]7[cH]61.[K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6
• 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: 11.06 ± 0.002 Å
• b: 13.291 ± 0.003 Å
• c: 21.226 ± 0.004 Å
• α: 77.47 ± 0.03°
• β: 81.03 ± 0.03°
• γ: 70.17 ± 0.03°
• Cell volume: 2853.7 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0882
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No