Information card for entry 4078436

Structure parameters

• Formula: C16 H26 Cl2 Li N2 Ti
• Calculated formula: C16 H26 Cl2 Li N2 Ti
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Ti]167892345([cH]2[cH]7[cH]6[cH]8[cH]12)[Cl][Li]1([Cl]9)[N](C)(C)CC[N]1(C)C
• 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: 8.2533 ± 0.0012 Å
• b: 8.2533 ± 0.0012 Å
• c: 27.378 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1864.9 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.255
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No