Information card for entry 4078440

Structure parameters

• Formula: C43 H81 Hf K O6 Si8
• Calculated formula: C43 H81 Hf K O6 Si8
• SMILES: [Hf]123456789([Si]%10([Si]([Si]([Si]1([Si](C)(C)C)[Si]([Si]%10(C)C)(C)C)(C)C)(C)C)[Si](C)(C)C)([cH]1[cH]3[cH]2[cH]5[cH]41)[cH]1[cH]6[cH]9[cH]8[cH]71.[K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6.c1c(C)cccc1
• 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: 13.884 ± 0.003 Å
• b: 15.265 ± 0.003 Å
• c: 27.786 ± 0.006 Å
• α: 90°
• β: 99.18 ± 0.03°
• γ: 90°
• Cell volume: 5814 ± 2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0901
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No